Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00216201
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 |
8CA![]() | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.71 | ![]() |
POO![]() | 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | A | 2BRL | 0.7 | ![]() |
QUA![]() | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | C | 2JQ7 | 0.77 | ![]() |
QUA![]() | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | B | 1OLN | 0.77 | ![]() |
QUA![]() | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | A | 1E9W | 0.77 | ![]() |
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 | 0.75 | ![]() |
MR6![]() | 2-(3,5-DIMETHYLPHENYL)-1,3-BENZOXAZOLE | A,B | 2QGE | 0.73 | ![]() |
9AC![]() | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.76 | ![]() |
FIC![]() | 5-fluoroindole-2-carboxylic acid | A,B | 3DWS | 0.73 | ![]() |
DK1![]() | 5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID | A,B | 1PBQ | 0.74 | ![]() |
QNC![]() | 2-CARBONYLQUINOLINE | A,B | 1MTB | 0.77 | ![]() |
QNC![]() | 2-CARBONYLQUINOLINE | A,B | 2FGV | 0.77 | ![]() |
QNC![]() | 2-CARBONYLQUINOLINE | I | 1IVQ | 0.77 | ![]() |
QNC![]() | 2-CARBONYLQUINOLINE | A,B | 2FGU | 0.77 | ![]() |
QNC![]() | 2-CARBONYLQUINOLINE | A | 1JLD | 0.77 | ![]() |
QNC![]() | 2-CARBONYLQUINOLINE | A,B | 1HXB | 0.77 | ![]() |
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 | ![]() |
QND![]() | QUINALDIC ACID | A,B | 1IDA | 0.87 | ![]() |
BRE![]() | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.79 | ![]() |
MMB![]() | (2R,3E)-2-{4-[(5-METHYL-2-PHENYL- 1,3-OXAZOL-4-YL)METHOXY]BENZYL}- 3-(PROPOXYIMINO)BUTANOIC ACID | A,C | 2NPA | 0.71 | ![]() |
DRC![]() | 9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]- 4-ACRIDINECARBOXAMIDE | A | 1KCI | 0.7 | ![]() |
CMF![]() | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.74 | ![]() |
DPY![]() | A,B | 1JES | 0.75 | ![]() | |
JTP![]() | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2- D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]- 2-METHYL-L-ALANINE | A,B | 2DXS | 0.71 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.75 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.75 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.75 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.75 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.75 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.75 | ![]() |
CBB![]() | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER | B | 1LPK | 0.77 | ![]() |
550![]() | methyl (1R,2S)-2-(hydroxycarbamoyl)- 1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | A,B | 3EDZ | 0.7 | ![]() |
3CS![]() | 3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4- IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)- 1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID | A,B,C,D,E,F | 2Q7R | 0.7 | ![]() |
238![]() | A | 2PRH | 0.75 | ![]() | |
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 | 0.71 | ![]() |
BRF![]() | A | 1UUO | 0.79 | ![]() | |
HQU![]() | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.79 | ![]() |
VX3![]() | 2,3-diphenyl-1H-indole-7-carboxylic acid | A | 3BGZ | 0.71 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.72 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.72 | ![]() |
NPV![]() | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.72 | ![]() |