Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00480102
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 |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.71 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.71 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.74 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.74 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.74 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.74 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.74 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.74 | ![]() |
NA4![]() | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.74 | ![]() |
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 | ![]() |
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 | ![]() |
FXV![]() | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | A | 1KSN | 0.72 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.72 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.72 | ![]() |
MYT![]() | METYRAPONE | A | 1PHG | 0.81 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.81 | ![]() |
D1G![]() | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.71 | ![]() |
D3G![]() | (5-(PYRIDIN-3-YL)FURAN-2-YL)METHANAMINE | A,B,C,D | 2FDW | 0.71 | ![]() |
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 | 0.71 | ![]() |
3IO![]() | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | A,B,C,D | 1XES | 0.71 | ![]() |
3IO![]() | 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID | B,C,D | 1XET | 0.71 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.71 | ![]() |
GPI![]() | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.72 | ![]() |
AGE![]() | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.72 | ![]() |
3HM![]() | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.7 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.74 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.74 | ![]() |
BP5![]() | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.74 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.79 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.79 | ![]() |
BRT![]() | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.71 | ![]() |























