Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03217650
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 |
TOX | 2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL | A,B | 2DV2 | 0.73 |  |
| TOX | 2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL | A,B | 2FXJ | 0.73 | |
CQA | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL | A,B | 2AOU | 0.72 | |
TPL | TRYPTOPHANOL | A | 1EE7 | 0.73 | |
BMS | A,B | 1DKF | 0.73 | | |
IMQ | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.81 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.73 | |
| PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.73 | |
| PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.73 | |
IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1BEU | 0.7 | |
| IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1QOP | 0.7 | |
| IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 2TRS | 0.7 | |
| IPL | INDOLE-3-PROPANOL PHOSPHATE | A | 1WXJ | 0.7 | |
| IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1KFC | 0.7 | |
3ID | 3H-INDOLE-5,6-DIOL | A | 1F9B | 0.71 | |
| 3ID | 3H-INDOLE-5,6-DIOL | A | 1OYO | 0.71 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.71 | |
PYF | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.75 | |
W37 | N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN- 6-YL]OXY}HEXYL)-N-METHYLPROP-2- EN-1-AMINE | A,B,C | 1O6H | 0.72 | |
RO0 | 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY- 4-{[4-(2-METHOXYPHENYL)PIPERIDIN- 1-YL]METHYL}ISOQUINOLINE | A | 2FVJ | 0.7 | |
ASE | N-ACETYL SEROTONIN | A | 1NAS | 0.71 | |
11P | [(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid) | A | 2RAH | 0.7 | |
IGP | INDOLE-3-GLYCEROL PHOSPHATE | A | 1A53 | 0.78 | |
| IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 2RHG | 0.78 | |
| IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 1KFB | 0.78 | |
| IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 2RH9 | 0.78 | |
| IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 1A5B | 0.78 | |
| IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 1QOQ | 0.78 | |
PY7 | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.73 | |
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 | 0.74 | |
IHX | 3-[3-(4-methylpiperazin-1-yl)-7- (trifluoromethyl)quinoxalin-5-yl]phenol | A,B | 3F66 | 0.72 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.73 | |
BRF | A | 1UUO | 0.72 | | |
PXM | 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)- 2-METHYLPYRIDIN-3-OL | A | 1RFT | 0.71 | |
| PXM | 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)- 2-METHYLPYRIDIN-3-OL | A,B | 2Z9V | 0.71 | |
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 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.82 | |
ELP | (1R)-1-[((1E)-{3-HYDROXY-2-METHYL- 5-[(PHOSPHONOOXY)METHYL]PYRIDIN- 4-YL}METHYLENE)AMINO]-1-PHENYLETHYLPHOSPHONIC ACID | A | 1M0P | 0.71 | |
BER | BERBERINE | A | 3D6Y | 0.7 | |
| BER | BERBERINE | A,B,D,E | 1JUM | 0.7 | |
| BER | BERBERINE | A,B,D,E | 3BTI | 0.7 | |
| BER | BERBERINE | A | 2QVD | 0.7 | |
TSC | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AH0 | 0.75 | |
| TSC | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AGZ | 0.75 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.73 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.74 | |
| QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.74 | |
DEH | 2,9-dihydroxy-3,10-dimethoxy-5,6- dihydroisoquino[3,2-a]isoquinolinium | A | 3GSY | 0.75 | |
HTR | BETA-HYDROXYTRYPTOPHANE | A,B | 1QPA | 0.73 | |
| HTR | BETA-HYDROXYTRYPTOPHANE | A,B | 1B80 | 0.73 | |
| HTR | BETA-HYDROXYTRYPTOPHANE | A | 1ROV | 0.73 | |
SRO | SEROTONIN | A,B | 3BRN | 0.73 | |
| SRO | SEROTONIN | A | 2QEH | 0.73 | |
PZZ | 3-{3-[(DIMETHYLAMINO)METHYL]-1H- INDOL-7-YL}PROPAN-1-OL | A | 2QHW | 0.71 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.72 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.74 | |
| HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.74 | |
| HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.74 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.7 | |
DRP | 2-DEOXYRIBOFURANOSYL-PYRIDINE-5'- MONOPHOSPHATE | A,B | 1JES | 0.75 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.73 | |
3B3 | (2S)-1-AMINO-3-[(5-NITROQUINOLIN- 8-YL)AMINO]PROPAN-2-OL | A | 2CGV | 0.7 | |
HQA | 3-(8-hydroxyquinolin-3-yl)-L-alanine | A,B | 3FCA | 0.72 | |
4MF | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-4-METHYL- 1H-INDOLE | C | 2OXM | 0.72 | |
| 4MF | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-4-METHYL- 1H-INDOLE | B,C | 2OYT | 0.72 | |
3IL | 3-(INDOL-3-YL) LACTATE | A | 2A7P | 0.74 | |
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 | |
PYA | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.72 | |