Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02631186
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 |
3IL | 3-(INDOL-3-YL) LACTATE | A | 2A7P | 0.71 |  |
3MP | 3-METHYLPYRIDINE | A | 1EUB | 0.73 | |
| 3MP | 3-METHYLPYRIDINE | A | 1BM6 | 0.73 | |
PRR | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.76 | |
TPL | TRYPTOPHANOL | A | 1EE7 | 0.75 | |
HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.71 | |
| HLO | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.71 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.71 | |
PY2 | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.7 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.71 | |
NTN | ISONICOTINAMIDINE | A | 7ADH | 0.71 | |
N5I | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-5-NITRO- 1H-INDOLE | A,C,E,F,I,J,K | 2OYQ | 0.71 | |
4MF | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-4-METHYL- 1H-INDOLE | C | 2OXM | 0.71 | |
| 4MF | 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-4-METHYL- 1H-INDOLE | B,C | 2OYT | 0.71 | |
NNR | Nicotinamide riboside | A | 2QT0 | 0.71 | |
| NNR | Nicotinamide riboside | A | 2QT1 | 0.71 | |
IMQ | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.8 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.71 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.71 | |
TOX | 2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL | A,B | 2DV2 | 0.78 | |
| TOX | 2-AMINO-3-(1-HYDROPEROXY-1H-INDOL- 3-YL)PROPAN-1-OL | A,B | 2FXJ | 0.78 | |
DRP | 2-DEOXYRIBOFURANOSYL-PYRIDINE-5'- MONOPHOSPHATE | A,B | 1JES | 0.8 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.71 | |
11P | [(7R)-6,7-dihydro-5H-cyclopenta[c]pyridin- 7-yl(hydroxy)methylene]bis(phosphonic acid) | A | 2RAH | 0.77 | |
RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YV5 | 0.77 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 1RQJ | 0.77 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YQ7 | 0.77 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YHL | 0.77 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 2QIS | 0.77 | |
| RIS | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 2O1O | 0.77 | |
364 | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.7 | |
1IN | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPV | 0.7 | |
| 1IN | 1-[2-HYDROXY-4-(2-HYDROXY-5-METHYL- CYCLOPENTYLCARBAMOYL)5-PHENYL-PENTYL]- 4-(3-PYRIDIN-3-YL-PROPIONYL)-PIPERAZINE- 2-CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2BPW | 0.7 | |
IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1BEU | 0.71 | |
| IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1QOP | 0.71 | |
| IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 2TRS | 0.71 | |
| IPL | INDOLE-3-PROPANOL PHOSPHATE | A | 1WXJ | 0.71 | |
| IPL | INDOLE-3-PROPANOL PHOSPHATE | A,B | 1KFC | 0.71 | |
ISQ | ISOQUINOLINE | A | 1GDK | 0.72 | |
PY7 | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.76 | |
TSC | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AH0 | 0.73 | |
| TSC | (1S)-1-AMINO-2-(1H-INDOL-3-YL)ETHANOL | D,H | 2AGZ | 0.73 | |
GPI | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.72 | |
HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.73 | |
| HBP | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.73 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.71 | |
| HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.71 | |
| HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.71 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.74 | |
PYF | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.79 | |
IGP | INDOLE-3-GLYCEROL PHOSPHATE | A | 1A53 | 0.71 | |
| IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 2RHG | 0.71 | |
| IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 1KFB | 0.71 | |
| IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 2RH9 | 0.71 | |
| IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 1A5B | 0.71 | |
| IGP | INDOLE-3-GLYCEROL PHOSPHATE | A,B | 1QOQ | 0.71 | |
OBI | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.76 | |
BP5 | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.75 | |
NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R, S,T | 1UW6 | 0.77 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.77 | |
| NCT | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.77 | |
PZZ | 3-{3-[(DIMETHYLAMINO)METHYL]-1H- INDOL-7-YL}PROPAN-1-OL | A | 2QHW | 0.71 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.7 | |
PCH | 3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN- 4-YLOXY)BUTAN-2-OL | I | 1E82 | 0.74 | |
SB9 | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | P | 2AIE | 0.7 | |
3B3 | (2S)-1-AMINO-3-[(5-NITROQUINOLIN- 8-YL)AMINO]PROPAN-2-OL | A | 2CGV | 0.7 | |