Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01675222
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
| Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
|---|---|---|---|---|---|
| Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
XX4 | 3-(2-AMINO-6-BENZOYLQUINAZOLIN- 3(4H)-YL)-N-CYCLOHEXYL-N-METHYLPROPANAMIDE | A,B,C | 2Q11 | 0.71 |  |
BL6 | (3aS)-3a-hydroxy-7-methyl-1-phenyl- 1,2,3,3a-tetrahydro-4H-pyrrolo[2,3- b]quinolin-4-one | A | 3BZ8 | 0.8 | |
BL7 | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a- tetrahydro-4H-pyrrolo[2,3-b]quinolin- 4-one | A | 3BZ9 | 0.8 | |
XIN | methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin- 1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}- 2-oxo-2,3-dihydro-1H-indole-6-carboxylate | A | 3C7Q | 0.72 | |
BL4 | (3aS)-3a-hydroxy-5-methyl-1-phenyl- 1,2,3,3a-tetrahydro-4H-pyrrolo[2,3- b]quinolin-4-one | A | 3BZ7 | 0.78 | |
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.72 | |
061 | 2-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL- 5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN- 4-ONE | A,B | 1A8T | 0.72 | |
BIT | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO- 4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN- 4-ONE | A | 1YV3 | 0.79 | |
GG1 | 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP- 1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN- 3(2H)-YL]METHYL}BENZOIC ACID | A,B,C,D,E,F, G,H | 2OZR | 0.71 | |
XXZ | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 0.71 | |
NU1 | 8-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN- 4-ONE | A | 4PAX | 0.71 | |
DQB | 4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN- 6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID | A | 1ZLY | 0.75 | |
NHS | 10-FORMYL-5,8,10-TRIDEAZAFOLIC ACID | A,B | 1C2T | 0.75 | |
MEF | N-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7- hexahydroimidazo[1,5-f]pteridin- 8(9H)-yl]phenyl}carbonyl)-L-glutamic acid | A | 3BGX | 0.71 | |
FRM | 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE | A,B | 1UK0 | 0.72 | |
TMF | 5,10-METHYLENE-6-HYDROFOLIC ACID | A | 1BJG | 0.71 | |
| TMF | 5,10-METHYLENE-6-HYDROFOLIC ACID | A | 1JBW | 0.71 | |
| TMF | 5,10-METHYLENE-6-HYDROFOLIC ACID | A | 1LCE | 0.71 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1KCE | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1NCE | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F | 1KZJ | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | X | 2FTO | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TRG | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2TSC | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVU | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVV | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1FWM | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1BQ1 | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL5 | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AIQ | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DDU | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 1QZF | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1TDU | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZE | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8M | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 2OIP | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1CI7 | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DNA | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1LCA | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZD | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1ZPR | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2AAZ | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8O | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVW | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL6 | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AN5 | 0.71 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D | 2BFA | 0.71 | |
F89 | S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID | A,B | 1TSD | 0.73 | |
| F89 | S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID | A,B | 1SYN | 0.73 | |
| F89 | S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID | A,B | 2VF0 | 0.73 | |
| F89 | S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID | A,B,C,D,E | 1SEJ | 0.73 | |
| F89 | S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID | A,B,C,D | 1F28 | 0.73 | |
| F89 | S)-2-(5(((1,2-DIHYDRO-3-METHYL- 1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1- OXO-2-ISOINDOLINYL)GLUTARIC ACID | A,B | 1TLC | 0.73 | |
MRE | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.71 | |
MHF | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | X | 2IJG | 0.71 | |
| MHF | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | A,B | 2J4D | 0.71 | |
| MHF | 5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACID | A,B | 1DNP | 0.71 | |