Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01685482
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 |
225 | FELODIPINE | A | 2NNJ | 0.74 |  |
IQA | (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID | A | 1OM1 | 0.71 | |
RXB | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo- 1,2,3,4-tetrahydroisoquinolin-5- yl)amino]ethyl acetate | A,B,C,D | 3DEI | 0.74 | |
BMS | A,B | 1DKF | 0.74 | | |
JTP | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2- D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]- 2-METHYL-L-ALANINE | A,B | 2DXS | 0.7 | |
T98 | 5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO- 2H-3,1-BENZOXAZIN-6-YL)-1-METHYL- 1H-PYRROLE-2-CARBONITRILE | A,B | 1ZUC | 0.71 | |
550 | methyl (1R,2S)-2-(hydroxycarbamoyl)- 1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | A,B | 3EDZ | 0.71 | |
RXC | (1S)-1-(3-chlorophenyl)-2-oxo-2- [(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin- 5-yl)amino]ethyl acetate | A,B,C,D | 3DEJ | 0.7 | |
1IQ | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.81 | |
I4A | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CQ1 | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1OTW | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1C9U | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1W6S | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1FLG | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A | 1KV9 | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD6 | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CRU | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1H4I | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD7 | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD8 | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,D,I | 2D0V | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 4AAH | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C,E,G | 1H4J | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A | 1KB0 | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A | 1YIQ | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1LRW | 0.7 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1G72 | 0.7 | |
C80 | (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1- BENZYL-1H-INDOLE-3-CARBOXYLATE | C,O | 2V11 | 0.72 | |
OAI | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | A | 1C83 | 0.71 | |
LG2 | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.71 | |
8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN2 | 0.72 | |
| 8AD | 9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1FN1 | 0.72 | |
368 | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.71 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.73 | |
BRF | A | 1UUO | 0.71 | | |
7AD | 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE | A,B | 1RQY | 0.72 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.72 | |
DRC | 9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]- 4-ACRIDINECARBOXAMIDE | A | 1KCI | 0.74 | |
CBB | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER | B | 1LPK | 0.74 | |
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 | |