-->
Receptor
PDB id Resolution Class Description Source Keywords
1CTU 2.3 Å EC: 3.5.4.5 TRANSITION-STATE SELECTIVITY FOR A SINGLE OH GROUP DURING CA CYTIDINE DEAMINASE ESCHERICHIA COLI HYDROLASE
Ref.: TRANSITION-STATE SELECTIVITY FOR A SINGLE HYDROXYL DURING CATALYSIS BY CYTIDINE DEAMINASE. BIOCHEMISTRY V. 34 4516 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZEB A:295;
Valid;
none;
Ki = 1.2 pM
246.217 C9 H14 N2 O6 C1=CN...
ZN A:296;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CTU 2.3 Å EC: 3.5.4.5 TRANSITION-STATE SELECTIVITY FOR A SINGLE OH GROUP DURING CA CYTIDINE DEAMINASE ESCHERICHIA COLI HYDROLASE
Ref.: TRANSITION-STATE SELECTIVITY FOR A SINGLE HYDROXYL DURING CATALYSIS BY CYTIDINE DEAMINASE. BIOCHEMISTRY V. 34 4516 1995
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1ALN - CTD C10 H14 N2 O5 C1=CN(C(=O....
2 1CTU Ki = 1.2 pM ZEB C9 H14 N2 O6 C1=CN(C(=O....
3 1CTT Ki = 30 uM DHZ C9 H14 N2 O5 C1C=CN(C(=....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1ALN - CTD C10 H14 N2 O5 C1=CN(C(=O....
2 1CTU Ki = 1.2 pM ZEB C9 H14 N2 O6 C1=CN(C(=O....
3 1CTT Ki = 30 uM DHZ C9 H14 N2 O5 C1C=CN(C(=....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1ALN - CTD C10 H14 N2 O5 C1=CN(C(=O....
2 1CTU Ki = 1.2 pM ZEB C9 H14 N2 O6 C1=CN(C(=O....
3 1CTT Ki = 30 uM DHZ C9 H14 N2 O5 C1C=CN(C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ZEB; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 ZEB 1 1
2 DHZ 0.571429 0.966102
3 URI 0.553571 0.966102
4 BRD 0.534483 0.915254
5 CJB 0.5 0.916667
6 5UD 0.483333 0.890625
7 2TU 0.483333 0.888889
8 CTD 0.45 0.9
9 URD 0.45 0.85
10 GPQ 0.444444 0.846154
11 GPK 0.4375 0.846154
12 CTN 0.435484 0.919355
13 AR3 0.435484 0.919355
14 GPU 0.430769 0.846154
15 D1J 0.430556 0.820895
16 5AE 0.419355 0.887097
17 D1M 0.411765 0.873016
18 F01 0.4 0.850746
19 DDN 0.4 0.771429
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CTU; Ligand: ZEB; Similar sites found with APoc: 45
This union binding pocket(no: 1) in the query (biounit: 1ctu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 5HZ9 5M8 None
2 3UDG TMP 1.70068
3 1J2Z SOG 1.85185
4 1SQS TLA 2.06612
5 4C1K PEP 2.29008
6 1U6R IOM 2.38095
7 3B6R CRN 2.38095
8 5UI2 SUC 3.06122
9 5KWW 6YA 3.06122
10 4JLS 3ZE 3.28947
11 1JPA ANP 3.40136
12 3TBK ANP 3.40136
13 4PTN PYR 3.40136
14 6EOM ALA LYS 3.40136
15 2VL1 GLY GLY 4.08163
16 2D7D ADP 4.08163
17 5X20 AOT 4.08163
18 1CBK ROI 4.375
19 5XKR BZE 4.40252
20 5L2R MLA 4.42177
21 1RZM E4P 4.42177
22 4A4Z ANP 4.7619
23 5NC1 NAG 4.7619
24 2HVW DDN 4.8913
25 4NFE BEN 5.06329
26 4LCN GNG 5.10204
27 5OF1 SAL 5.2381
28 4OUJ LBT 5.44218
29 5WXU FLC 5.78231
30 4NS0 PIO 6.01504
31 1VQ2 DDN 6.73575
32 4OWK NGA 7.24638
33 3VZ3 NAP 7.48299
34 3KCC CMP 7.69231
35 2FKA BEF 7.82313
36 5C9P FUC 8.16327
37 2IDO TMP 9.86395
38 3UYW TAU 10.7477
39 1P6O HPY 11.8012
40 2V8L GLC GLC GLC GLC GLC GLC GLC 12.2642
41 3IWD M2T 14.7059
42 2FSH ANP 15.3061
43 2Z3H BLO 16.9231
44 6C90 ADP 25
45 2QX0 PH2 25.1572
Pocket No.: 2; Query (leader) PDB : 1CTU; Ligand: ZEB; 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: 1ctu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback