Receptor
PDB id Resolution Class Description Source Keywords
1MQ0 2.4 Å EC: 3.5.4.5 CRYSTAL STRUCTURE OF HUMAN CYTIDINE DEAMINASE HOMO SAPIENS HUMAN ENZYME CYTIDINE DEAMINASE AMINE HYDROLASE INHIBITODIAZEPINONE LEUKEMIA CHEMOTHERAPY ANTICANCER DRUG PHI-INTERACTION EDGE-TO-FACE INTERACTION PROTEIN HYDROLASE
Ref.: STRUCTURE OF HUMAN CYTIDINE DEAMINASE BOUND TO A PO INHIBITOR J.MED.CHEM. V. 48 658 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BRD A:148;
B:149;
Valid;
Valid;
none;
none;
submit data
242.229 C10 H14 N2 O5 C1=CN...
ZN A:147;
B:147;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MQ0 2.4 Å EC: 3.5.4.5 CRYSTAL STRUCTURE OF HUMAN CYTIDINE DEAMINASE HOMO SAPIENS HUMAN ENZYME CYTIDINE DEAMINASE AMINE HYDROLASE INHIBITODIAZEPINONE LEUKEMIA CHEMOTHERAPY ANTICANCER DRUG PHI-INTERACTION EDGE-TO-FACE INTERACTION PROTEIN HYDROLASE
Ref.: STRUCTURE OF HUMAN CYTIDINE DEAMINASE BOUND TO A PO INHIBITOR J.MED.CHEM. V. 48 658 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1MQ0 - BRD C10 H14 N2 O5 C1=CNC(=O)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2FR6 - URI C9 H12 N2 O6 C1=CN(C(=O....
2 1ZAB - URD C10 H13 N O6 C1C(=O)C=C....
3 2FR5 - TYU C9 H16 N2 O6 C1CN(C(=O)....
4 1MQ0 - BRD C10 H14 N2 O5 C1=CNC(=O)....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UX1 - THU C9 H14 N2 O5 C1CN(C(=O)....
2 1JTK - THU C9 H14 N2 O5 C1CN(C(=O)....
3 1UX0 - THU C9 H14 N2 O5 C1CN(C(=O)....
4 1UWZ - THU C9 H14 N2 O5 C1CN(C(=O)....
5 2FR6 - URI C9 H12 N2 O6 C1=CN(C(=O....
6 1ZAB - URD C10 H13 N O6 C1C(=O)C=C....
7 2FR5 - TYU C9 H16 N2 O6 C1CN(C(=O)....
8 1MQ0 - BRD C10 H14 N2 O5 C1=CNC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BRD; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 BRD 1 1
2 ZEB 0.534483 0.915254
3 URI 0.525424 0.915254
4 DHZ 0.516667 0.915254
5 CJB 0.47619 0.866667
6 2TU 0.460317 0.84127
7 URD 0.451613 0.830508
8 5UD 0.4375 0.84375
9 CTD 0.428571 0.85
10 CTN 0.415385 0.870968
11 AR3 0.415385 0.870968
12 GPU 0.411765 0.8
13 GPQ 0.402985 0.8
14 5AE 0.4 0.83871
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MQ0; Ligand: BRD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1mq0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1MQ0; Ligand: BRD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1mq0.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1MQ0; Ligand: BRD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1mq0.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1MQ0; Ligand: BRD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1mq0.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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