Target Information

Target General Information

Top

Target ID

T14342 (Former ID: TTDS00317)

Target Name

Human immunodeficiency virus Reverse transcriptase (HIV RT)

Synonyms

HIV p66 RT; HIV Exoribonuclease H

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Gene Name

HIV RT

Target Type

Successful target

[1]

Disease

[+] 3 Target-related Diseases

Hepatitis virus infection [ICD-11: 1E50-1E51]

Human immunodeficiency virus disease [ICD-11: 1C60-1C62]

Virus infection [ICD-11: 1A24-1D9Z]

Function

Gag-Pol polyprotein: Mediates, with Gag polyprotein, the essential events in virion assembly, including binding the plasma membrane, making the protein-protein interactions necessary to create spherical particles, recruiting the viral Env proteins, and packaging the genomic RNA via direct interactions with the RNA packaging sequence (Psi). Gag-Pol polyprotein may regulate its own translation, by the binding genomic RNA in the 5'-UTR. At low concentration, the polyprotein would promote translation, whereas at high concentration, the polyprotein would encapsidate genomic RNA and then shut off translation.

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UniProt ID

POL_HV1B1

EC Number

EC 2.7.7.49

Sequence

PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPV
FAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPL
DEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVI
YQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWT
VQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAE
LELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGA
HTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTP
PLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNKGRQKVVPLTNTTNQKTELQ
AIYLALQDSGLEVNIVTDSQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHK
GIGGNEQVDKLVSAGIRKIL

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Drugs and Modes of Action

Top

Approved Drug(s)

[+] 18 Approved Drugs

Abacavir

Drug Info

Approved

Human immunodeficiency virus infection

[2]

Bictegravir, emtricitabine and tenofovir alafenamide

Drug Info

Approved

Human immunodeficiency virus infection

[3]

Delavirdine

Drug Info

Approved

Human immunodeficiency virus infection

[4]

Didanosine

Drug Info

Approved

Human immunodeficiency virus infection

[1], [5]

Efavirenz

Drug Info

Approved

Human immunodeficiency virus infection

[4]

Emtricitabine

Drug Info

Approved

Human immunodeficiency virus infection

[1], [6], [7]

Etravirine

Drug Info

Approved

Human immunodeficiency virus-1 infection

[8], [9]

GS-7340

Drug Info

Approved

Hepatitis B virus infection

[10]

Lamivudine

Drug Info

Approved

Chronic HBV infection

[1]

MK-1439

Drug Info

Approved

Human immunodeficiency virus infection

[3]

Nevirapine

Drug Info

Approved

Human immunodeficiency virus infection

[4]

Rilpivirine

Drug Info

Approved

Human immunodeficiency virus infection

[11]

Sorivudine

Drug Info

Approved

Virus infection

[12]

Stavudine

Drug Info

Approved

Human immunodeficiency virus infection

[1]

Tenofovir

Drug Info

Approved

Human immunodeficiency virus infection

[13]

Tenofovir disoproxil fumarate

Drug Info

Approved

Discovery agent

[12]

Zalcitabine

Drug Info

Approved

Human immunodeficiency virus infection

[14], [1]

Zidovudine

Drug Info

Approved

Human immunodeficiency virus infection

[15], [1]

Clinical Trial Drug(s)

[+] 33 Clinical Trial Drugs

Apricitabine

Drug Info

Phase 3

Human immunodeficiency virus infection

[16]

Epigallocatechin gallate

Drug Info

Phase 3

Hepatic fibrosis

[17], [18], [19], [20]

Glyminox

Drug Info

Phase 3

Sexually transmitted infection

[21]

VM-1500

Drug Info

Phase 2/3

Human immunodeficiency virus infection

[22]

Alovudine

Drug Info

Phase 2

Breast cancer

[23]

Amdoxovir

Drug Info

Phase 2

Hepatitis B virus infection

[24]

BILR-355

Drug Info

Phase 2

Human immunodeficiency virus infection

[25]

EMIVIRINE

Drug Info

Phase 2

Human immunodeficiency virus infection

[26]

F4co vaccine

Drug Info

Phase 2

Human immunodeficiency virus infection

[27], [28]

IDX899

Drug Info

Phase 2

Human immunodeficiency virus infection

[29]

L-697,661

Drug Info

Phase 2

Human immunodeficiency virus infection

[30]

Lersivirine

Drug Info

Phase 2

Human immunodeficiency virus infection

[31]

Lexipafant

Drug Info

Phase 2

Nerve injury

[32]

OBP-601

Drug Info

Phase 2

Human immunodeficiency virus-1 infection

[33]

RALURIDINE

Drug Info

Phase 2

Human immunodeficiency virus infection

[34], [35]

Ad35-GRIN

Drug Info

Phase 1/2

Human immunodeficiency virus infection

[36]

Dapivirine

Drug Info

Phase 1/2

Human immunodeficiency virus infection

[8]

TRICIRIBINE

Drug Info

Phase 1/2

Solid tumour/cancer

[37], [38]

Ad35-GRIN/ENV

Drug Info

Phase 1

Human immunodeficiency virus infection

[39]

AIC-292

Drug Info

Phase 1

Human immunodeficiency virus infection

[40]

ATEVIRDINE

Drug Info

Phase 1

Human immunodeficiency virus infection

[41]

CALANOLIDE A

Drug Info

Phase 1

Mycobacterium infection

[42]

Capravirine

Drug Info

Phase 1

Human immunodeficiency virus infection

[43]

CMX-157

Drug Info

Phase 1

Human immunodeficiency virus infection

[44]

GW-695634

Drug Info

Phase 1

Human immunodeficiency virus infection

[45]

KM-023

Drug Info

Phase 1

Human immunodeficiency virus infection

[46]

MK-6186

Drug Info

Phase 1

Human immunodeficiency virus infection

[47]

MK-8504

Drug Info

Phase 1

Human immunodeficiency virus-1 infection

[48]

MK-8583

Drug Info

Phase 1

Human immunodeficiency virus-1 infection

[49]

MSH-372

Drug Info

Phase 1

Human immunodeficiency virus infection

[50]

PT-112

Drug Info

Phase 1

Solid tumour/cancer

[51]

TROVIRDINE HYDROCHLORIDE

Drug Info

Phase 1

Human immunodeficiency virus infection

[52]

UC-781

Drug Info

Phase 1

Human immunodeficiency virus infection

[53], [54]

Discontinued Drug(s)

[+] 35 Discontinued Drugs

Lobucavir

Drug Info

Discontinued in Phase 3

Virus infection

[55]

AZT-P-DDI

Drug Info

Discontinued in Phase 2

Human immunodeficiency virus infection

[56]

DMP-961

Drug Info

Discontinued in Phase 2

Human immunodeficiency virus infection

[57]

Elvucitabine

Drug Info

Discontinued in Phase 2

Human immunodeficiency virus infection

[58]

FOZIVUDINE TIDOXIL

Drug Info

Discontinued in Phase 2

Human immunodeficiency virus infection

[59]

L-696229

Drug Info

Discontinued in Phase 2

Human immunodeficiency virus infection

[60]

Lodenosine

Drug Info

Discontinued in Phase 2

Human immunodeficiency virus infection

[61]

Loviride

Drug Info

Discontinued in Phase 2

Human immunodeficiency virus infection

[62]

Opaviraline

Drug Info

Discontinued in Phase 2

Human immunodeficiency virus infection

[63]

R-18893

Drug Info

Discontinued in Phase 2

Human immunodeficiency virus infection

[64]

DPC-082

Drug Info

Discontinued in Phase 1

Human immunodeficiency virus infection

[65]

L-697639

Drug Info

Discontinued in Phase 1

Human immunodeficiency virus infection

[66]

PNU-142721

Drug Info

Discontinued in Phase 1

Human immunodeficiency virus infection

[67]

R-82150

Drug Info

Discontinued in Phase 1

Human immunodeficiency virus infection

[68]

R-82913

Drug Info

Discontinued in Phase 1

Human immunodeficiency virus infection

[69]

A-79296

Drug Info

Terminated

Herpes simplex virus infection

[70]

ANX-201

Drug Info

Terminated

Cytomegalovirus infection

[71]

BAY-Z-4305

Drug Info

Terminated

Human immunodeficiency virus-1 infection

[72]

BEA-005

Drug Info

Terminated

Cytomegalovirus infection

[73]

C-AFG

Drug Info

Terminated

Virus infection

[74]

DMP-963

Drug Info

Terminated

Human immunodeficiency virus infection

[75]

DPC-A78277

Drug Info

Terminated

Human immunodeficiency virus infection

[76]

GS-9148

Drug Info

Terminated

Human immunodeficiency virus infection

[77]

ISIS-1082

Drug Info

Terminated

Virus infection

[78]

MEN-10690

Drug Info

Terminated

Human immunodeficiency virus-1 infection

[79]

MEN-10880

Drug Info

Terminated

Human immunodeficiency virus-1 infection

[80]

MEN-10979

Drug Info

Terminated

Human immunodeficiency virus-1 infection

[81]

MIV-170

Drug Info

Terminated

Human immunodeficiency virus infection

[82]

MSC-204

Drug Info

Terminated

Human immunodeficiency virus infection

[83]

Navuridine

Drug Info

Terminated

Human immunodeficiency virus infection

[84]

RDEA-427

Drug Info

Terminated

Human immunodeficiency virus infection

[85]

RDEA-640

Drug Info

Terminated

Human immunodeficiency virus infection

[85]

SPD-756

Drug Info

Terminated

Human immunodeficiency virus infection

[86]

UC-38

Drug Info

Terminated

Human immunodeficiency virus infection

[87]

UC-84

Drug Info

Terminated

Human immunodeficiency virus infection

[88]

Mode of Action

[+] 2 Modes of Action

Inhibitor

[+] 168 Inhibitor drugs

Abacavir

Drug Info

[89]

Bictegravir, emtricitabine and tenofovir alafenamide

Drug Info

[3]

Didanosine

Drug Info

[91]

GS-7340

Drug Info

[10]

MK-1439

Drug Info

[3], [92]

Rilpivirine

Drug Info

[8]

Stavudine

Drug Info

[95]

Tenofovir

Drug Info

[96]

Zalcitabine

Drug Info

[98], [99]

Zidovudine

Drug Info

[96]

Epigallocatechin gallate

Drug Info

[101]

Glyminox

Drug Info

[102]

PT-304

Drug Info

[103]

VM-1500

Drug Info

[104]

BILR-355

Drug Info

[12], [106]

Lersivirine

Drug Info

[111]

Lexipafant

Drug Info

[8]

OBP-601

Drug Info

[112]

RALURIDINE

Drug Info

[12], [113]

Dapivirine

Drug Info

[8]

TRICIRIBINE

Drug Info

[115]

AIC-292

Drug Info

[116]

CALANOLIDE A

Drug Info

[118]

Capravirine

Drug Info

[119]

CMX-157

Drug Info

[120]

GW-695634

Drug Info

[121]

KM-023

Drug Info

[122]

MK-6186

Drug Info

[123]

MK-8504

Drug Info

[124]

MK-8583

Drug Info

[125]

MSH-372

Drug Info

[126]

PT-112

Drug Info

[127]

PT-302

Drug Info

[103]

UC-781

Drug Info

[129]

AZT-P-DDI

Drug Info

[12], [131]

DMP-961

Drug Info

[12], [132]

FOZIVUDINE TIDOXIL

Drug Info

[12], [134]

L-696229

Drug Info

[12], [135]

Lodenosine

Drug Info

[136]

Loviride

Drug Info

[137]

DPC-082

Drug Info

[12], [140]

L-697639

Drug Info

[141]

LY-73497

Drug Info

[103]

PNU-142721

Drug Info

[142]

BAY-Z-4305

Drug Info

[147]

DMP-963

Drug Info

[12], [132]

DPC-A78277

Drug Info

[150]

GS-9148

Drug Info

[151]

MIV-170

Drug Info

[155]

Navuridine

Drug Info

[156]

RDEA-427

Drug Info

[157]

RDEA-640

Drug Info

[158]

SPD-756

Drug Info

[159]

1-(1-Phenyl-propyl)-3-thiazol-2-yl-thiourea

Drug Info

[162]

1-(2-Furan-2-yl-ethyl)-3-thiazol-2-yl-thiourea

Drug Info

[103]

1-(2-Phenoxy-ethyl)-3-thiazol-2-yl-thiourea

Drug Info

[162]

1-(2-Phenyl-propyl)-3-thiazol-2-yl-thiourea

Drug Info

[103]

1-(2-Pyridin-2-yl-ethyl)-3-thiazol-2-yl-thiourea

Drug Info

[103]

1-(3-Phenyl-propyl)-3-thiazol-2-yl-thiourea

Drug Info

[103]

1-(4-Butyl-thiazol-2-yl)-3-phenethyl-thiourea

Drug Info

[103]

1-(4-Cyano-thiazol-2-yl)-3-phenethyl-thiourea

Drug Info

[103]

1-Adamantan-1-ylmethyl-3-thiazol-2-yl-thiourea

Drug Info

[162]

1-Benzenesulfonyl-2-nitro-benzene

Drug Info

[163]

1-Benzothiazol-2-yl-3-phenethyl-thiourea

Drug Info

[103]

1-Benzyl-3-thiazol-2-yl-thiourea

Drug Info

[103]

1-Furan-2-ylmethyl-3-thiazol-2-yl-thiourea

Drug Info

[162]

1-nitro-2-(2-nitrophenylsulfonyl)benzene

Drug Info

[163]

1-Phenethyl-3-[1,3,4]thiadiazol-2-yl-thiourea

Drug Info

[103]

1-Thiazol-2-yl-3-(2-o-tolyl-ethyl)-thiourea

Drug Info

[103]

1-Thiazol-2-yl-3-(2-p-tolyl-ethyl)-thiourea

Drug Info

[162]

10-Allyl-10H-dibenzo[b,f][1,4]oxazepin-11-one

Drug Info

[164]

10-Ethyl-10H-dibenzo[b,f][1,4]oxazepin-11-one

Drug Info

[164]

10-Isopropyl-10H-dibenzo[b,f][1,4]oxazepin-11-one

Drug Info

[164]

10-Propyl-10H-dibenzo[b,f][1,4]oxazepin-11-one

Drug Info

[164]

10-Propyl-10H-dibenzo[b,f][1,4]thiazepin-11-one

Drug Info

[164]

2',3'-ddATP

Drug Info

[165]

2'-3'-dideoxy-7-deaza-guaninetriphosphate

Drug Info

[165]

2'-deoxythymidine triphosphate

Drug Info

[165]

2-Amino-6-(2-bromo-benzenesulfonyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(2-chloro-benzenesulfonyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(2-chloro-phenylsulfanyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(2-cyano-benzenesulfinyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(2-cyano-benzenesulfonyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(2-cyano-phenylsulfanyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(2-fluoro-benzenesulfonyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(2-methoxy-phenylsulfanyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(3-bromo-benzenesulfinyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(3-bromo-benzenesulfonyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(3-bromo-phenylsulfanyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(3-chloro-benzenesulfonyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(3-chloro-phenylsulfanyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(3-cyano-benzenesulfonyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(3-cyano-phenylsulfanyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(3-fluoro-phenylsulfanyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(3-methoxy-phenylsulfanyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(4-chloro-phenylsulfanyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(naphthalene-1-sulfonyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(naphthalene-2-sulfonyl)-benzonitrile

Drug Info

[163]

2-Amino-6-(toluene-2-sulfonyl)-benzonitrile

Drug Info

[163]

100

2-Amino-6-(toluene-3-sulfinyl)-benzonitrile

Drug Info

[163]

101

2-Amino-6-(toluene-3-sulfonyl)-benzonitrile

Drug Info

[163]

102

2-Amino-6-(toluene-4-sulfonyl)-benzonitrile

Drug Info

[163]

103

2-Amino-6-benzenesulfonyl-benzonitrile

Drug Info

[163]

104

2-Amino-6-m-tolylsulfanyl-benzonitrile

Drug Info

[163]

105

2-Amino-6-p-tolylsulfanyl-benzonitrile

Drug Info

[163]

106

2-Amino-6-phenylsulfanyl-benzonitrile

Drug Info

[163]

107

2-Benzylsulfanyl-6-chloro-pyrimidin-4-ylamine

Drug Info

[166]

108

3'thiacytidine

Drug Info

[99]

109

3-Benzylamino-5-ethyl-6-methyl-1H-pyridin-2-one

Drug Info

[167]

110

6-Benzyl-2-cyclohexylsulfanyl-3H-pyrimidin-4-one

Drug Info

[168]

111

6-Benzyl-2-cyclopentylsulfanyl-3H-pyrimidin-4-one

Drug Info

[169]

112

6-Benzyl-2-isobutylsulfanyl-3H-pyrimidin-4-one

Drug Info

[168]

113

6-Benzyl-2-sec-butylsulfanyl-3H-pyrimidin-4-one

Drug Info

[169]

114

Benzimidazole 5-carboxamide

Drug Info

[8]

115

CORILAGIN

Drug Info

[170]

116

Deoxyfluorothymidine

Drug Info

[99]

117

Dihydropyrone

Drug Info

[8]

118

Ethyl 1-[(1H-benzimidazol-2(3H)one-5-yl)sulfonyl]-1H-pyrrole-2-carboxylate

Drug Info

[172]

119

Ethyl 1-[(1H-benzimidazol-5(6)-yl)sulfonyl]-1H-pyrrole-2-carboxylate

Drug Info

[172]

120

Ethyl 1-[(1H-benzotriazol-5(6)-yl)sulfonyl]-1H-pyrrole-2-carboxylate

Drug Info

[172]

121

HEPT

Drug Info

[173]

122

HI-172

Drug Info

[174]

123

HI-236

Drug Info

[175]

124

HI-240

Drug Info

[176]

125

HI-241

Drug Info

[175]

126

HI-242

Drug Info

[175]

127

HI-244

Drug Info

[162]

128

HI-280

Drug Info

[174]

129

HI-281

Drug Info

[174]

130

HI-443

Drug Info

[176]

131

HI-445

Drug Info

[174]

132

Indole N -acetamide

Drug Info

[8]

133

ISODISPAR B

Drug Info

[177]

134

NSC-380292

Drug Info

[178]

135

NSC-625487

Drug Info

[12], [179]

136

PT-101

Drug Info

[103]

137

PT-102

Drug Info

[175]

138

PT-103

Drug Info

[103]

139

PT-104

Drug Info

[127]

140

PT-106

Drug Info

[103]

141

PT-108

Drug Info

[103]

142

PT-109

Drug Info

[127]

143

PT-110

Drug Info

[127]

144

PT-113

Drug Info

[127]

145

PT-114

Drug Info

[127]

146

PT-115

Drug Info

[127]

147

PT-306

Drug Info

[103]

148

PT-307

Drug Info

[103]

149

PT-308

Drug Info

[103]

150

PT-309

Drug Info

[103]

151

PT-310

Drug Info

[103]

152

PT-311

Drug Info

[103]

153

PT-312

Drug Info

[103]

154

PT-313

Drug Info

[103]

155

PT-314

Drug Info

[103]

156

PT-315

Drug Info

[103]

157

PT-316

Drug Info

[103]

158

PT-317

Drug Info

[103]

159

PT-319

Drug Info

[103]

160

PT-320

Drug Info

[103]

161

PT-322

Drug Info

[103]

162

R-87027

Drug Info

[180]

163

RTI-20

Drug Info

[181]

164

Tetrahydroimidazo[4,5,1-jk]-[1,4]benzodiazepin-2(1H)-one

Drug Info

[182]

165

UK-129485

Drug Info

[184]

166

[(40-OH) MeLeu]4-CsA derivatives

Drug Info

[185]

167

[(40-OH)MeLeu]4-Cyclosporin A

Drug Info

[185]

168

[(D)MeSer]3-[(40-OH) MeLeu]4-Cyclosporin A

Drug Info

[185]

Modulator

[+] 35 Modulator drugs

Delavirdine

Drug Info

[90]

Efavirenz

Drug Info

[90]

Emtricitabine

Drug Info

[6], [7]

Etravirine

Drug Info

[9]

Lamivudine

Drug Info

[90]

Nevirapine

Drug Info

[93]

Sorivudine

Drug Info

[1], [94]

Tenofovir disoproxil fumarate

Drug Info

[6], [97]

Apricitabine

Drug Info

[100]

Alovudine

Drug Info

[100]

Amdoxovir

Drug Info

[105]

EMIVIRINE

Drug Info

[107]

IDX899

Drug Info

[109]

L-697,661

Drug Info

[110]

ATEVIRDINE

Drug Info

[117]

TROVIRDINE HYDROCHLORIDE

Drug Info

[128]

Lobucavir

Drug Info

[130]

Elvucitabine

Drug Info

[133]

Opaviraline

Drug Info

[138]

R-18893

Drug Info

[139]

R-82150

Drug Info

[143]

R-82913

Drug Info

[144]

A-79296

Drug Info

[145]

ANX-201

Drug Info

[146]

BEA-005

Drug Info

[148]

C-AFG

Drug Info

[149]

ISIS-1082

Drug Info

[152]

MEN-10690

Drug Info

[153]

MEN-10880

Drug Info

[153]

MEN-10979

Drug Info

[154]

MSC-204

Drug Info

[126]

UC-38

Drug Info

[160]

UC-84

Drug Info

[161]

E-EBU-dM

Drug Info

[171]

TNK-651

Drug Info

[183]

Drug Binding Sites of Target

Top

Ligand Name: 2'-deoxythymidine triphosphate

Ligand Info

Structure Description

STRUCTURE OF A CATALYTIC COMPLEX OF HIV-1 REVERSE TRANSCRIPTASE: IMPLICATIONS FOR NUCLEOSIDE ANALOG DRUG RESISTANCE

PDB:1RTD

Method

X-ray diffraction

Resolution

3.20 Å

Mutation

Yes

[186]

PDB Sequence

KISPIETVPV

¹⁰

KLKPGMDGPK

²⁰

VKQWPLTEEK

³⁰

IKALVEICTE

⁴⁰

MEKEGKISKI

⁵⁰

GPENPYNTPV

⁶⁰

FAIKKKDSTK

⁷⁰

WRKLVDFREL

⁸⁰

NKRTQDFWEV

⁹⁰

QLGIPHPAGL

¹⁰⁰

KKKKSVTVLD

¹¹⁰

VGDAYFSVPL

¹²⁰

DEDFRKYTAF

¹³⁰

TIPSINNETP

¹⁴⁰

GIRYQYNVLP

¹⁵⁰

QGWKGSPAIF

¹⁶⁰

QSSMTKILEP

¹⁷⁰

FRKQNPDIVI

¹⁸⁰

YQYMDDLYVG

¹⁹⁰

SDLEIGQHRT

²⁰⁰

KIEELRQHLL

²¹⁰

RWGLTTPDKK

²²⁰

HQKEPPFLWM

²³⁰

GYELHPDKWT

²⁴⁰

VQPIVLPEKD

²⁵⁰

SWTVNDICKL

²⁶⁰

VGKLNWASQI

²⁷⁰

YPGIKVRQLC

²⁸⁰

KLLRGTKALT

²⁹⁰

EVIPLTEEAE

³⁰⁰

LELAENREIL

³¹⁰

KEPVHGVYYD

³²⁰

PSKDLIAEIQ

³³⁰

KQGQGQWTYQ

³⁴⁰

IYQEPFKNLK

³⁵⁰

TGKYARMRGA

³⁶⁰

HTNDVKQLTE

³⁷⁰

AVQKITTESI

³⁸⁰

VIWGKTPKFK

³⁹⁰

LPIQKETWET

⁴⁰⁰

WWTEYWQATW

⁴¹⁰

IPEWEFVNTP

⁴²⁰

PLVKLWYQLE

⁴³⁰

KEPIVGAETF

⁴⁴⁰

YVDGAANRET

⁴⁵⁰

KLGKAGYVTN

⁴⁶⁰

KGRQKVVPLT

⁴⁷⁰

DTTNQKTQLQ

⁴⁸⁰

AIYLALQDSG

⁴⁹⁰

LEVNIVTDSQ

⁵⁰⁰

YALGIIQAQP

⁵¹⁰

DESESELVNQ

⁵²⁰

IIEQLIKKEK

⁵³⁰

VYLAWVPAHK

⁵⁴⁰

GIGGNEQVDK

⁵⁵⁰

LVSA

Residue

Distance (Å)

LYS65

2.674

ARG72

2.671

LEU74

4.843

ASP110

3.218

VAL111

3.068

GLY112

3.027

ASP113

3.057

Residue

Distance (Å)

ALA114

3.206

TYR115

2.997

PHE116

4.619

GLN151

2.893

GLY152

4.769

MET184

4.419

ASP185

2.711

Ligand Name: (2-Acetyl-5-methylanilino)(2,6-dibromophenyl)acetamide

Ligand Info

Structure Description

STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN A COMPLEX WITH THE NONNUCLEOSIDE INHIBITOR ALPHA-APA R 95845 AT 2.8 ANGSTROMS RESOLUTION

PDB:1HNI

Method

X-ray diffraction

Resolution

2.80 Å

Mutation

[187]

PDB Sequence

PISPIETVPV

¹⁰

KLKPGMDGPK

²⁰

VKQWPLTEEK

³⁰

IKALVEICTE

⁴⁰

MEKEGKISKI

⁵⁰

GPENPYNTPV

⁶⁰

FAIKKKDSTK

⁷⁰

WRKLVDFREL

⁸⁰

NKRTQDFWEV

⁹⁰

QLGIPHPAGL

¹⁰⁰

KKKKSVTVLD

¹¹⁰

VGDAYFSVPL

¹²⁰

DEDFRKYTAF

¹³⁰

TIPSINNETP

¹⁴⁰

GIRYQYNVLP

¹⁵⁰

QGWKGSPAIF

¹⁶⁰

QSSMTKILEP

¹⁷⁰

FKKQNPDIVI

¹⁸⁰

YQYMDDLYVG

¹⁹⁰

SDLEIGQHRT

²⁰⁰

KIEELRQHLL

²¹⁰

RWGLTTPDKK

²²⁰

HQKEPPFLWM

²³⁰

GYELHPDKWT

²⁴⁰

VQPIVLPEKD

²⁵⁰

SWTVNDIQKL

²⁶⁰

VGKLNWASQI

²⁷⁰

YPGIKVRQLS

²⁸⁰

KLLRGTKALT

²⁹⁰

EVIPLTEEAE

³⁰⁰

LELAENREIL

³¹⁰

KEPVHGVYYD

³²⁰

PSKDLIAEIQ

³³⁰

KQGQGQWTYQ

³⁴⁰

IYQEPFKNLK

³⁵⁰

TGKYARMRGA

³⁶⁰

HTNDVKQLTE

³⁷⁰

AVQKITTESI

³⁸⁰

VIWGKTPKFK

³⁹⁰

LPIQKETWET

⁴⁰⁰

WWTEYWQATW

⁴¹⁰

IPEWEFVNTP

⁴²⁰

PLVKLWYQLE

⁴³⁰

KEPIVGAETF

⁴⁴⁰

YVDGAANRET

⁴⁵⁰

KLGKAGYVTN

⁴⁶⁰

KGRQKVVPLT

⁴⁷⁰

NTTNQKTELQ

⁴⁸⁰

AIYLALQDSG

⁴⁹⁰

LEVNIVTDSQ

⁵⁰⁰

YALGIIQAQP

⁵¹⁰

DKSESELVNQ

⁵²⁰

IIEQLIKKEK

⁵³⁰

VYLAWVPAHK

⁵⁴⁰

GIGGNEQVDK

⁵⁵⁰

LVSAGIRK

Residue

Distance (Å)

PRO95

4.445

LEU100

3.573

LYS101

3.467

LYS102

4.775

LYS103

3.830

VAL106

2.258

THR107

3.731

VAL179

3.419

ILE180

4.949

TYR181

3.049

Residue

Distance (Å)

TYR188

2.009

VAL189

2.494

GLY190

2.711

PHE227

4.187

TRP229

2.991

LEU234

3.779

HIS235

3.710

PRO236

4.263

TYR318

2.983

Click to View More Binding Site Information of This Target with Different Ligands

Drug Property Profile of Target

Top

(1) Molecular Weight (mw) based Drug Clustering

(2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering

(3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering

(4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering

(5) Rotatable Bond Count (rotbonds) based Drug Clustering

(6) Topological Polar Surface Area (polararea) based Drug Clustering

"RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five

Co-Targets

Top

Co-Targets

Co-Targets Info

Target-Related Models and Studies

Top

Target Validation

Target Validation Info

Target QSAR Model

References

Top

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