Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03448608
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 |
DA7 | 5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 1DL8 | 0.72 |  |
B49 | N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-2-oxo-1,2-dihydro-3H- indol-3-ylidene)methyl]-2,4-dimethyl- 1H-pyrrole-3-carboxamide | A,B | 3G0F | 0.72 | |
| B49 | N-[2-(diethylamino)ethyl]-5-[(Z)- (5-fluoro-2-oxo-1,2-dihydro-3H- indol-3-ylidene)methyl]-2,4-dimethyl- 1H-pyrrole-3-carboxamide | A | 3G0E | 0.72 | |
CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1KCE | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1NCE | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F | 1KZJ | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | X | 2FTO | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TRG | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2TSC | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVU | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVV | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1FWM | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1BQ1 | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL5 | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AIQ | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DDU | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 1QZF | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1TDU | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZE | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8M | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 2OIP | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1CI7 | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1DNA | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1LCA | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1VZD | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1ZPR | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2AAZ | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 2G8O | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A | 1TVW | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D,E | 3DL6 | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B | 1AN5 | 0.73 | |
| CB3 | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID | A,B,C,D | 2BFA | 0.73 | |
303 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWK | 0.7 | |
373 | 3-(5-{[4-(AMINOMETHYL)PIPERIDIN- 1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN- 2(1H)-ONE | A | 2HXQ | 0.71 | |
C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1U1J | 0.73 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2OGY | 0.73 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XPG | 0.73 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1TLS | 0.73 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B,C | 1ZP4 | 0.73 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2E7F | 0.73 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1TSN | 0.73 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 2IDK | 0.73 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1XR2 | 0.73 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A | 1B02 | 0.73 | |
| C2F | 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID | A,B | 1Q8J | 0.73 | |
38M | 3-(3-chlorophenyl)-2-({(1S)-1-[(6S)- 2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin- 4(3H)-one | A | 3F9N | 0.71 | |
CPF | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7- PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE- 3-CARBOXYLIC ACID | A | 1OYE | 0.72 | |
| CPF | 1-CYCLOPROPYL-6-FLUORO-4-OXO-7- PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE- 3-CARBOXYLIC ACID | A | 1T9U | 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 | 0.72 | |
BIT | (-)-1-PHENYL-1,2,3,4-TETRAHYDRO- 4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN- 4-ONE | A | 1YV3 | 0.73 | |
AN9 | 1,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE- 9,10-DIONE | A,B | 1XCU | 0.72 | |
BL6 | (3aS)-3a-hydroxy-7-methyl-1-phenyl- 1,2,3,3a-tetrahydro-4H-pyrrolo[2,3- b]quinolin-4-one | A | 3BZ8 | 0.73 | |
BL7 | (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a- tetrahydro-4H-pyrrolo[2,3-b]quinolin- 4-one | A | 3BZ9 | 0.73 | |
155 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-3,4-DIHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWJ | 0.7 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN2 | 0.7 | |
| 8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN1 | 0.7 | |
8C5 | 8-cyclohexyl-N-methoxy-5-oxo-2- {[4-(2-pyrrolidin-1-ylethyl)phenyl]amino}- 5,8-dihydropyrido[2,3-d]pyrimidine- 6-carboxamide | A | 3DPK | 0.7 | |
1A2 | 5-(4'-AMINO-1'-ETHYL-5',8'-DIFLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLINE]- 1-YLCARBONYL)PICOLINONITRILE | A,B | 3E6T | 0.7 | |
4QC | 3-[6-{2'-[(DIMETHYLAMINO)METHYL]BIPHENYL- 4-YL}-7-OXO-3-(TRIFLUOROMETHYL)- 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4- C]PYRIDIN-1-YL]BENZAMIDE | A | 2G00 | 0.71 | |
7AD | 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE | A,B | 1RQY | 0.7 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 465D | 0.71 | |
| 9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 452D | 0.71 | |