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Receptor
PDB id Resolution Class Description Source Keywords
1ITU 2 Å EC: 3.4.13.19 HUMAN RENAL DIPEPTIDASE COMPLEXED WITH CILASTATIN HOMO SAPIENS DIPEPTIDASE GLYCOPROTEIN MEMBRANE-BOUND ZINC PROTEASE BETLACTAMASE CILASTATIN COMPLEX (HYDROLASE-INHIBITOR) HYDRO
Ref.: CRYSTAL STRUCTURE OF HUMAN RENAL DIPEPTIDASE INVOLV BETA-LACTAM HYDROLYSIS J.MOL.BIOL. V. 321 177 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIL A:451;
B:452;
Valid;
Valid;
none;
none;
submit data
358.453 C16 H26 N2 O5 S CC1(C...
NAG A:461;
A:463;
B:462;
B:464;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
ZN A:401;
A:402;
B:411;
B:412;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ITU 2 Å EC: 3.4.13.19 HUMAN RENAL DIPEPTIDASE COMPLEXED WITH CILASTATIN HOMO SAPIENS DIPEPTIDASE GLYCOPROTEIN MEMBRANE-BOUND ZINC PROTEASE BETLACTAMASE CILASTATIN COMPLEX (HYDROLASE-INHIBITOR) HYDRO
Ref.: CRYSTAL STRUCTURE OF HUMAN RENAL DIPEPTIDASE INVOLV BETA-LACTAM HYDROLYSIS J.MOL.BIOL. V. 321 177 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1ITU - CIL C16 H26 N2 O5 S CC1(C[C@@H....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1ITU - CIL C16 H26 N2 O5 S CC1(C[C@@H....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 3ITC Ki = 25 mM CIT C6 H8 O7 C(C(=O)O)C....
2 3K5X Ki = 390 nM P8D C7 H14 N O6 P C[C@H](N)[....
3 1ITU - CIL C16 H26 N2 O5 S CC1(C[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CIL 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ITU; Ligand: CIL; Similar sites found with APoc: 46
This union binding pocket(no: 1) in the query (biounit: 1itu.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4J7H TLO 1.35501
2 4JZ8 CIT 1.57729
3 3RI1 3RH 2.23642
4 5UR1 YY9 2.2508
5 1F5F DHT 2.43902
6 3WG6 NDP 2.60586
7 3FV3 IVA VAL VAL STA ALA STA 2.65487
8 2O4J VD4 2.73973
9 1QRP HH0 2.76074
10 1KDK DHT 2.82486
11 6CAY ERG 2.95858
12 1T9M FMN 3.27103
13 4ER2 IVA VAL VAL STA ALA STA 3.33333
14 1CZI PRO PHI SMC NOR 3.40557
15 1SJD NPG 3.53261
16 4HMT NNV 3.55556
17 4HMT FMN 3.55556
18 1ZAP A70 4.38596
19 3VRV YSD 4.42804
20 3NB0 G6P 4.60705
21 2H6T IVA VAL VAL STA ALA STA 4.70588
22 1YRX FMN 4.95868
23 4YHQ G10 5.05051
24 2GJN NIS 5.18293
25 2GJN FMN 5.18293
26 4WB7 ATP 5.42005
27 5ABH YWN 5.42005
28 6FUL E7Z 5.69106
29 2D7C GTP 5.98802
30 6G5Q EMZ 6.23306
31 1EU8 TRE 6.23306
32 4ZL4 4PK 6.50407
33 3SM2 478 6.81818
34 1NGP NPA 6.97674
35 1WKR IVA VAL VAL STA ALA STA 7.05882
36 4XJC TTP 7.34463
37 5WP4 PC 7.58808
38 5T2Z 017 8.08081
39 4NJS G08 8.08081
40 2F2G HMH 8.1448
41 2Q4X HMH 8.1448
42 3S43 478 9.09091
43 2W2X GSP 9.67742
44 1M5W DXP 12.3457
45 6BVK EAV 12.5749
46 6BVM EBV 12.5749
Pocket No.: 2; Query (leader) PDB : 1ITU; Ligand: CIL; Similar sites found with APoc: 6
This union binding pocket(no: 2) in the query (biounit: 1itu.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 3D91 REM 1.75953
2 5HCT 61P 2.98103
3 3HQP OXL 2.98103
4 5ICK FEZ 8.73362
5 4URX FK1 11.3514
6 3MWS 017 14.1414
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