Target Binding Site Detail

Content Navigation (  All   None )                                      
Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T17758 Target Info
Target Name Urokinase-type plasminogen activator (PLAU)
Synonyms UPA; U-plasminogen activator
Target Type Successful Target
Gene Name PLAU
Biochemical Class Peptidase
UniProt ID
UROK_HUMAN
Ligand General Information  Top
Ligand Name 6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine Ligand Info
Canonical SMILES C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C=C(C=C3)C(=N)N
InChI 1S/C18H15N3O/c19-17(20)14-8-6-13-11-15(9-7-12(13)10-14)18(22)21-16-4-2-1-3-5-16/h1-11H,(H3,19,20)(H,21,22)
InChIKey AECPTICWHONWNW-UHFFFAOYSA-N
PubChem Compound ID 447732
Drug Binding Sites of Target  Top
PDB ID: 4FU9      Crystal Structure of the Urokinase
Method X-ray diffraction Resolution 1.60 Å Mutation Yes [1]
PDB Sequence
IIGGEFTTIE
10
NQPWFAAIYR
20
RHRGGSVTYV
30
CGGSLISPCW
40
VISATHCFID
50

YPKKEDYIVY
60
LGRSRLNSNT
70
QGEMKFEVEN
80
LILHKDYSAD
90
TLAHHNDIAL
100

LKIRSKEGRC
110
AQPSRTIQTI
120
ALPSMYNDPQ
130
FGTSCEITGF
140
GKEQSTDYLY
150

PEQLKMTVVK
160
LISHRECQQP
170
HYYGSEVTTK
180
MLCAADPQWK
190
TDSCQGDSGG
200

PLVCSLQGRM
210
TLTGIVSWGR
220
GCALKDKPGV
230
YTRVSHFLPW
240
IRSHTK
Residue
Distance (Å)
HIS46
2.762
ILE49
4.941
ASP50
3.753
TYR87
4.077
ALA89
4.825
HIS94
2.203
TYR173
4.727
ASP192
1.985
SER193
2.071
CYS194
2.976
GLN195
2.655
GLY196
4.754
SER198
2.443
VAL216
2.488
Residue
Distance (Å)
SER217
3.242
TRP218
2.898
GLY219
2.644
ARG220
3.930
GLY221
1.894
CYS222
2.545
ALA223
2.950
LEU224
4.375
LYS227
3.906
PRO228
4.221
GLY229
2.657
VAL230
3.778
TYR231
3.156
PDB ID: 1OWE      Substituted 2-Naphthamidine inhibitors of urokinase
Method X-ray diffraction Resolution 1.60 Å Mutation No [2]
PDB Sequence
IIGGEFTTIE
10
NQPWFAAIYR
20
RHRGGSVTYV
32
CGGSLMSPCW
48
VISATHCFID
58

YPKKEDYIVY
70
LGRSRLNSNT
82
QGEMKFEVEN
92
LILHKDYSAD
102
TLAHHNDIAL
112

LKIRSKEGRC
122
AQPSRTIQTI
132
CLPSMYNDPQ
142
FGTSCEITGF
152
GKEQSTDYLY
162

PEQLKMTVVK
173
LISHRECQQP
183
HYYGSEVTTK
193
MLCAADPQWK
203
TDSCQGDSGG
213

PLVCSLQGRM
223
TLTGIVSWGR
233
GCALKDKPGV
243
YTRVSHFLPW
253
IRSHT
Residue
Distance (Å)
HIS54
3.398
HIS106
3.617
ASP205
2.836
SER206
2.771
CYS207
4.083
GLN208
2.887
SER211
3.405
VAL229
3.833
SER230
4.037
TRP231
3.597
Residue
Distance (Å)
GLY232
3.937
ARG233
4.808
GLY234
2.927
CYS235
3.868
ALA236
4.502
LYS240
4.704
PRO241
4.570
GLY242
3.318
VAL243
4.798
TYR244
4.584
References  Top
REF 1 Crystal Structure of the Urokinase
REF 2 Identification of novel binding interactions in the development of potent, selective 2-naphthamidine inhibitors of urokinase. Synthesis, structural analysis, and SAR of N-phenyl amide 6-substitution. J Med Chem. 2004 Jan 15;47(2):303-24.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.