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 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 7-Methoxy-8-[1-(methylsulfonyl)-1H-pyrazol-4-YL]naphthalene-2-carboximidamide Ligand Info
Canonical SMILES COC1=C(C2=C(C=CC(=C2)C(=N)N)C=C1)C3=CN(N=C3)S(=O)(=O)C
InChI 1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
InChIKey KQUXAFOLFXHVQN-UHFFFAOYSA-N
PubChem Compound ID 5289529
Drug Binding Sites of Target  Top
PDB ID: 4FUI      Crystal Structure of the Urokinase
Method X-ray diffraction Resolution 2.00 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
4.638
LYS142
4.028
SER145
3.375
ASP192
2.951
SER193
2.848
CYS194
3.909
GLN195
3.509
SER198
3.155
VAL216
3.815
SER217
3.848
TRP218
3.465
Residue
Distance (Å)
GLY219
3.315
ARG220
4.512
GLY221
2.777
CYS222
3.458
ALA223
4.601
LYS227
4.793
PRO228
4.610
GLY229
3.259
VAL230
4.651
TYR231
4.687
PDB ID: 1SQT      Substituted 2-Naphthamidine Inhibitors of Urokinase
Method X-ray diffraction Resolution 1.90 Å Mutation No [2]
PDB Sequence
IIGGEFTTIE
10
NQPWFAAIYR
20
RHRGGSVTYV
29
CGGSLMSPCW
39
VISATHCFID
49

YPKKEDYIVY
59
LGRSRLNSNT
69
QGEMKFEVEN
79
LILHKDYSAD
89
TLAHHNDIAL
99

LKIRSKEGRC
109
AQPSRTIQTI
119
CLPSMYNDPQ
129
FGTSCEITGF
139
GKENSTDYLY
149

PEQLKMTVVK
159
LISHRECQQP
169
HYYGSEVTTK
179
MLCAADPQWK
189
TDSCQGDSGG
199

PLVCSLQGRM
209
TLTGIVSWGR
219
GCALKDKPGV
229
YTRVSHFLPW
239
IRSHT
Residue
Distance (Å)
HIS45
4.657
LYS141
3.580
SER144
3.409
ASP191
2.891
SER192
2.920
CYS193
3.771
GLN194
3.553
SER197
3.198
VAL215
3.859
SER216
3.909
Residue
Distance (Å)
TRP217
3.560
GLY218
3.490
ARG219
3.570
GLY220
2.769
CYS221
3.259
ALA222
4.710
PRO227
4.647
GLY228
3.158
VAL229
4.702
TYR230
4.723
References  Top
REF 1 Crystal Structure of the Urokinase
REF 2 Interaction with the S1 beta-pocket of urokinase: 8-heterocycle substituted and 6,8-disubstituted 2-naphthamidine urokinase inhibitors. Bioorg Med Chem Lett. 2004 Jun 21;14(12):3063-8.

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