Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178876
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 |
I4A | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.75 |  |
BMS | A,B | 1DKF | 0.75 | | |
DA7 | 5-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 1DL8 | 0.72 | |
IQA | (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID | A | 1OM1 | 0.71 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CQ1 | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1OTW | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1C9U | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1W6S | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1FLG | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A | 1KV9 | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD6 | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CRU | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1H4I | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD7 | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD8 | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,D,I | 2D0V | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 4AAH | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C,E,G | 1H4J | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A | 1KB0 | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A | 1YIQ | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1LRW | 0.73 | |
| PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1G72 | 0.73 | |
9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 465D | 0.73 | |
| 9AD | 9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE | A | 452D | 0.73 | |
VX3 | 2,3-diphenyl-1H-indole-7-carboxylic acid | A | 3BGZ | 0.75 | |
OAI | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | A | 1C83 | 0.73 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.76 | |
| NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.76 | |
| NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.76 | |
PT1 | PTEROIC ACID | A,B | 1TX0 | 0.7 | |
| PT1 | PTEROIC ACID | A | 1BR6 | 0.7 | |
| PT1 | PTEROIC ACID | A,B | 1HWP | 0.7 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.76 | |
F8A | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid | A | 3FR4 | 0.72 | |
1IQ | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.81 | |
FBQ | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL | A | 1HBJ | 0.7 | |
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 | 0.76 | |
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 | |
PYA | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.73 | |
BDC | BIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE- 4-CARBOXAMIDE | A,B | 1K2L | 0.71 | |
DRC | 9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]- 4-ACRIDINECARBOXAMIDE | A | 1KCI | 0.72 | |
238 | A | 2PRH | 0.72 | | |
BRF | A | 1UUO | 0.76 | | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.73 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.77 | |
7AD | 9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE | A,B | 1RQY | 0.72 | |
A4C | 9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N- [2-(DIMETHYLAMINO)ETHYL]ACRIDINE- 4-CARBOXAMIDE} | A | 2GWA | 0.71 | |
| A4C | 9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N- [2-(DIMETHYLAMINO)ETHYL]ACRIDINE- 4-CARBOXAMIDE} | A,B | 2GB9 | 0.71 | |