Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01403454
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 |
DK1 | 5,7-DICHLORO-4-HYDROXYQUINOLINE- 2-CARBOXYLIC ACID | A,B | 1PBQ | 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 | 0.72 | |
LCF | [6-(4-CHLOROPHENYL)-2,2-DIMETHYL- 7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN- 5-YL]ACETIC ACID | A | 1ZYX | 0.71 | |
2CS | 3-[3-(TERT-BUTYLTHIO)-1-(4-CHLOROBENZYL)- 5-(QUINOLIN-2-YLMETHOXY)-1H-INDOL- 2-YL]-2,2-DIMETHYLPROPANOIC ACID | A,C,D,E | 2Q7M | 0.71 | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.71 | |
238 | A | 2PRH | 0.8 | ||
541 | (2R)-N-HYDROXY-2-[(3S)-3-METHYL- 3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}- 2-OXOPYRROLIDIN-1-YL]PROPANAMIDE | A,B | 2FV5 | 0.7 | |
1IQ | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.71 | |
225 | FELODIPINE | A | 2NNJ | 0.78 | |
642 | (1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin- 4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane- 1-carboxylic acid | A,B | 3EWJ | 0.71 | |
QUN | QUINACRINE | A,B | 1JQE | 0.71 | |
116 | 7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL- 2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5- DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWJ | 0.76 | |
615 | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin- 4-yl)methoxy]benzyl}cyclopropane- 1,2-dicarboxamide | A,B | 3E8R | 0.73 | |
MTK | MONTELUKAST | A | 2NNI | 0.76 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.7 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.7 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.7 | |
IMN | INDOMETHACIN | A | 2BXM | 0.71 | |
IMN | INDOMETHACIN | A | 3FO7 | 0.71 | |
IMN | INDOMETHACIN | A,B,C,D | 1Z9H | 0.71 | |
IMN | INDOMETHACIN | A | 2BXQ | 0.71 | |
IMN | INDOMETHACIN | A,B,C,D | 4COX | 0.71 | |
IMN | INDOMETHACIN | A | 2ALT | 0.71 | |
IMN | INDOMETHACIN | A | 2OTH | 0.71 | |
IMN | INDOMETHACIN | A,B | 2DM6 | 0.71 | |
IMN | INDOMETHACIN | A | 1S2A | 0.71 | |
IMN | INDOMETHACIN | A | 2ZB8 | 0.71 | |
IMN | INDOMETHACIN | A | 3HWZ | 0.71 | |
IMN | INDOMETHACIN | A | 2BXK | 0.71 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.7 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.7 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.73 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 1C8L | 0.73 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 2AMV | 0.73 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 3AMV | 0.73 | |
BRF | A | 1UUO | 0.76 | ||
BMS | A,B | 1DKF | 0.71 | ||
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.77 | |
550 | methyl (1R,2S)-2-(hydroxycarbamoyl)- 1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | A,B | 3EDZ | 0.75 |