Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01526900
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 |
HQU | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.75 |  |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.76 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.82 | |
IQA | (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID | A | 1OM1 | 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 | 0.78 | |
F8A | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid | A | 3FR4 | 0.74 | |
I4A | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.74 | |
826 | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.72 | |
VX3 | 2,3-diphenyl-1H-indole-7-carboxylic acid | A | 3BGZ | 0.75 | |
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 | 0.73 | |
MTK | MONTELUKAST | A | 2NNI | 0.73 | |
PYA | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.71 | |
238 | A | 2PRH | 0.83 | | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | C | 2JQ7 | 0.74 | |
| QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | B | 1OLN | 0.74 | |
| QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | A | 1E9W | 0.74 | |
1IQ | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.76 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.89 | |
615 | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin- 4-yl)methoxy]benzyl}cyclopropane- 1,2-dicarboxamide | A,B | 3E8R | 0.73 | |
FBQ | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL | A | 1HBJ | 0.72 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.86 | |
| NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.86 | |
| NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.86 | |
QNC | 2-CARBONYLQUINOLINE | A,B | 1MTB | 0.71 | |
| QNC | 2-CARBONYLQUINOLINE | A,B | 2FGV | 0.71 | |
| QNC | 2-CARBONYLQUINOLINE | I | 1IVQ | 0.71 | |
| QNC | 2-CARBONYLQUINOLINE | A,B | 2FGU | 0.71 | |
| QNC | 2-CARBONYLQUINOLINE | A | 1JLD | 0.71 | |
| QNC | 2-CARBONYLQUINOLINE | A,B | 1HXB | 0.71 | |
BRF | A | 1UUO | 0.88 | | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.75 | |
| HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.75 | |
| HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.75 | |
ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMW | 0.7 | |
| ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3D1Y | 0.7 | |
| ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMY | 0.7 | |
| ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3CYX | 0.7 | |
| ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NNP | 0.7 | |
| ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | B | 1C6Z | 0.7 | |
| ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NNK | 0.7 | |
| ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A | 1FB7 | 0.7 | |
| ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 2NMZ | 0.7 | |
| ROC | N~1~-{(1S,2R)-1-benzyl-3-[(3R,4aR,8aR)- 3-(tert-butylcarbamoyl)octahydroisoquinolin- 2(1H)-yl]-2-hydroxypropyl}-N~2~- (quinolin-2-ylcarbonyl)-L-aspartamide | A,B | 3D1X | 0.7 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.71 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.72 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.72 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.72 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.72 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.72 | |
| PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.72 | |
CMF | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.77 | |
BMS | A,B | 1DKF | 0.76 | | |
550 | methyl (1R,2S)-2-(hydroxycarbamoyl)- 1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | A,B | 3EDZ | 0.73 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.71 | |
N1H | H | 2F9B | 0.7 | | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.77 | |
D3E | N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide | A,B,C,D | 3D3E | 0.7 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.75 | |
| QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.75 | |