Receptor
PDB id Resolution Class Description Source Keywords
6P5S 2.19 Å EC: 2.7.11.1 HIPK2 KINASE DOMAIN BOUND TO CX-4945 HOMO SAPIENS HOMEODOMAIN INTERACTING PROTEIN KINASE P53 REGULATOR MITOFIBROSIS NUCLEAR PROTEIN TRANSFERASE-TRANSFERASE INHIBITO
Ref.: THE CRYSTAL STRUCTURE OF THE PROTEIN KINASE HIPK2 R UNIQUE ARCHITECTURE OF ITS CMGC-INSERT REGION. J.BIOL.CHEM. V. 294 13545 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3NG A:601;
Valid;
none;
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349.77 C19 H12 Cl N3 O2 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6P5S 2.19 Å EC: 2.7.11.1 HIPK2 KINASE DOMAIN BOUND TO CX-4945 HOMO SAPIENS HOMEODOMAIN INTERACTING PROTEIN KINASE P53 REGULATOR MITOFIBROSIS NUCLEAR PROTEIN TRANSFERASE-TRANSFERASE INHIBITO
Ref.: THE CRYSTAL STRUCTURE OF THE PROTEIN KINASE HIPK2 R UNIQUE ARCHITECTURE OF ITS CMGC-INSERT REGION. J.BIOL.CHEM. V. 294 13545 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 125 families.
1 6P5S - 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 95 families.
1 6P5S - 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 63 families.
1 6P5S - 3NG C19 H12 Cl N3 O2 c1cc(cc(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3NG; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 3NG 1 1
2 E1B 0.461538 0.769231
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6P5S; Ligand: 3NG; Similar sites found with APoc: 24
This union binding pocket(no: 1) in the query (biounit: 6p5s.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4YZC STU 18.2051
2 4PNI KQQ 23.0769
3 2GU8 796 31.7507
4 3EKK GS2 31.9218
5 6CMJ F6J 32.3988
6 6CMJ F6J 32.3988
7 2JLD AG1 32.5641
8 2JLD AG1 32.5641
9 2JLD AG1 32.5641
10 2JLD AG1 32.5641
11 6E2O S0L 33.2203
12 4CLI 5P8 33.3333
13 4TWP AXI 33.5793
14 4TWP AXI 33.5793
15 3ZRM ZRM 33.9623
16 3ZRM ZRM 33.9623
17 4F4P 0SB 35.8974
18 5BVE 4VG 40.4432
19 1OUK 084 42.623
20 6K3L 3NG 43.1953
21 5Y86 HRM 44.6154
22 2VN9 GVD 45.1827
23 6FYL 3NG 48.4848
24 2WU6 DKI 49.3438
25 5ZTN CUR 50
26 5ZTN CUR 50
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