Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T43332 Target Info
Target Name Coagulation factor VII (F7)
Synonyms Serum prothrombin conversion accelerator; SPCA; Proconvertin; Eptacog alfa
Target Type Successful Target
Gene Name F7
Biochemical Class Peptidase
UniProt ID
FA7_HUMAN
Ligand General Information  Top
Ligand Name (S)-[(R)-2-(4-Benzyloxy-3-Methoxy-Phenyl)-2-(4-Carbamimidoyl-Phenylamino)-Acetylamino]-Phenyl-Acetic Acid Ligand Info
Canonical SMILES COC1=C(C=CC(=C1)C(C(=O)NC(C2=CC=CC=C2)C(=O)O)NC3=CC=C(C=C3)C(=N)N)OCC4=CC=CC=C4
InChI 1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1
InChIKey WGEGXJPYFSZDMU-IZLXSDGUSA-N
PubChem Compound ID 5287506
Drug Binding Sites of Target  Top
PDB ID: 1W7X      Factor7 - 413 complex
Method X-ray diffraction Resolution 1.80 Å Mutation No [1]
PDB Sequence
IVGGKVCPKG
25
ECPWQVLLLV
35
NGAQLCGGTL
46
INTIWVVSAA
56
HCFDKIKNWR
62

NLIAVLGEHD
72
LSEHDGDEQS
82
RRVAQVIIPS
92
TYVPGTTNHD
102
IALLRLHQPV
112

VLTDHVVPLC
122
LPERTFSERT
129C
LAFVRFSLVS
139
GWGQLLDRGA
150
TALELMVLNV
160

PRLMTQDCLQ
170
QSRSPNITEY
179
MFCAGYSDGS
188
KDSCKGDSGG
197
PHATHYRGTW
207

YLTGIVSWGQ
217
GCATVGHFGV
227
YTRVSQYIEW
237
LQKLMRSEPR
247
PGVLLRAPFP
257
Residue
Distance (Å)
HIS57
2.876
LYS60A
2.927
ASP60
3.492
THR98
4.346
THR99
3.421
ASP102
3.795
PRO170I
3.577
SER170H
3.679
ASP189
2.901
SER190
2.949
CYS191
3.916
LYS192
3.424
Residue
Distance (Å)
SER195
3.231
VAL213
3.717
SER214
3.329
TRP215
3.475
GLY216
3.354
GLN217
3.408
GLY219
2.879
CYS220
3.611
ALA221A
4.658
GLY226
3.474
VAL227
4.384
TYR228
4.606
PDB ID: 1W8B      Factor7 - 413 complex
Method X-ray diffraction Resolution 3.00 Å Mutation No [1]
PDB Sequence
IVGGKVCPKG
25
ECPWQVLLLV
35
NGAQLCGGTL
46
INTIWVVSAA
56
HCFDKIKNWR
62

NLIAVLGEHD
72
LSEHDGDEQS
82
RRVAQVIIPS
92
TYVPGTTNHD
102
IALLRLHQPV
112

VLTDHVVPLC
122
LPERTFSERT
129C
LAFVRFSLVS
139
GWGTALELMV
157
LNVPRLMTQD
167

CLQQSRKVGD
170G
SPNITEYMFC
182
AGYSDGSKDS
190
CKGDSGGPHA
200
THYRGTWYLT
210

GIVSWGQGCA
221A
TVGHFGVYTR
230
VSQYIEWLQK
240
LMRSEPRPGV
250
LLRAPFP
Residue
Distance (Å)
HIS57
2.977
ASP60
3.478
GLY97
2.993
THR98
4.193
THR99
3.327
ASP102
3.474
PRO170I
3.639
ASP189
2.792
SER190
2.784
CYS191
4.003
LYS192
2.858
SER195
3.163
Residue
Distance (Å)
VAL213
3.662
SER214
3.629
TRP215
3.334
GLY216
3.384
GLN217
4.538
GLY219
2.949
CYS220
3.954
ALA221A
4.404
PHE225
4.780
GLY226
3.296
VAL227
4.554
TYR228
4.594
References  Top
REF 1 Selective and orally bioavailable phenylglycine tissue factor/factor VIIa inhibitors. Bioorg Med Chem Lett. 2005 Dec 1;15(23):5344-52.

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