Receptor
PDB id Resolution Class Description Source Keywords
5N26 2.05 Å EC: 1.16.3.1 X-RAY STRUCTURE OF HUMAN HEAVY CHAIN FERRITIN IN COMPLEX WIT CISPLATIN HOMO SAPIENS FERRITIN OXIDOREDUCTASE
Ref.: CISPLATIN BINDING SITES IN HUMAN H-CHAIN FERRITIN. INORG CHEM V. 56 9064 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
73M A:202;
Valid;
none;
submit data
279.584 Cl H5 N2 O Pt N[Pt]...
CL A:209;
A:208;
A:210;
A:207;
A:205;
A:206;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
MG A:212;
A:213;
A:214;
A:211;
A:215;
Invalid;
Invalid;
Part of Protein;
Invalid;
Part of Protein;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
CPT A:204;
A:203;
A:201;
Invalid;
Valid;
Valid;
none;
Atoms found LESS than expected: % Diff = 0.4;
Atoms found LESS than expected: % Diff = 0.4;
submit data
300.045 Cl2 H6 N2 Pt [NH3]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5N26 2.05 Å EC: 1.16.3.1 X-RAY STRUCTURE OF HUMAN HEAVY CHAIN FERRITIN IN COMPLEX WIT CISPLATIN HOMO SAPIENS FERRITIN OXIDOREDUCTASE
Ref.: CISPLATIN BINDING SITES IN HUMAN H-CHAIN FERRITIN. INORG CHEM V. 56 9064 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5N26 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 5N26 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
2 3F39 Kd = 16.5 mM IPH C6 H6 O c1ccc(cc1)....
3 1XZ1 Ka ~ 100000 M^-1 HLT C2 H Br Cl F3 [C@@H](C(F....
4 3F35 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
5 3F33 Kd = 0.46 mM PFL C12 H18 O CC(C)c1ccc....
6 3F38 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
7 3F37 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
8 3F34 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
9 3F36 Kd = 1.3 mM IP0 C9 H12 O CC(C)c1ccc....
10 1XZ3 Ka ~ 100000 M^-1 ICF C3 H2 Cl F5 O [C@H](C(F)....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5N26 - CPT Cl2 H6 N2 Pt [NH3][Pt](....
2 3F39 Kd = 16.5 mM IPH C6 H6 O c1ccc(cc1)....
3 1XZ1 Ka ~ 100000 M^-1 HLT C2 H Br Cl F3 [C@@H](C(F....
4 3F35 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
5 3F33 Kd = 0.46 mM PFL C12 H18 O CC(C)c1ccc....
6 3F38 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
7 3F37 Kd = 2.4 mM 2MY C8 H10 O Cc1cccc(c1....
8 3F34 Kd = 0.69 mM DIE C10 H14 O CCc1cccc(c....
9 3F36 Kd = 1.3 mM IP0 C9 H12 O CC(C)c1ccc....
10 1XZ3 Ka ~ 100000 M^-1 ICF C3 H2 Cl F5 O [C@H](C(F)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 73M; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 73M 1 1
Ligand no: 2; Ligand: CPT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 CPT 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 73M; Similar ligands found: 25
No: Ligand Similarity coefficient
1 CPT 0.9963
2 TCV 0.9461
3 ALF 0.9400
4 AF3 0.9335
5 VN4 0.9263
6 CP2 0.9249
7 KCS 0.9178
8 9UX 0.9148
9 BRP 0.9111
10 MCH 0.9058
11 1BP 0.8944
12 BEF 0.8910
13 DCE 0.8891
14 DTZ 0.8856
15 61G 0.8849
16 ATO 0.8771
17 OSM 0.8767
18 2A1 0.8720
19 BRJ 0.8678
20 F3V 0.8669
21 TF4 0.8666
22 J3K 0.8634
23 NIS 0.8627
24 HAE 0.8625
25 PYR 0.8600
Ligand no: 2; Ligand: CPT; Similar ligands found: 14
No: Ligand Similarity coefficient
1 73M 0.9963
2 TCV 0.9295
3 AF3 0.9198
4 CP2 0.9074
5 KCS 0.9058
6 VN4 0.9023
7 BRP 0.8953
8 1BP 0.8847
9 MCH 0.8837
10 DTZ 0.8735
11 BEF 0.8700
12 DCE 0.8687
13 61G 0.8638
14 OSM 0.8587
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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