Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02533068
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 |
DZF | 5-DEAZAFOLIC ACID | A,B | 2DHF | 0.71 | |
DZF | 5-DEAZAFOLIC ACID | A,B | 1DYH | 0.71 | |
DZF | 5-DEAZAFOLIC ACID | A,B,C,D | 1CDE | 0.71 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCK | 0.74 | |
NNO | 6-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCM | 0.74 | |
NFL | 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID | A | 1TD7 | 0.82 | |
368 | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.73 | |
C92 | N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide | A,B | 3CPB | 0.72 | |
G44 | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.74 | |
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 | |
PAA | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.72 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.75 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.75 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.75 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 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 | 0.76 | |
NIX | NALIDIXIC ACID | A,B | 2BQ2 | 0.77 | |
PAQ | 2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE | A,B,C,D | 2C11 | 0.72 | |
PAQ | 2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE | A,B | 1SPU | 0.72 | |
859 | 2-({2-[(3-HYDROXYPHENYL)AMINO]PYRIMIDIN- 4-YL}AMINO)BENZAMIDE | A,B | 2NO3 | 0.73 | |
24X | H,L | 2EC9 | 0.77 | ||
NIO | NICOTINIC ACID | A | 1JHQ | 0.79 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.79 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.79 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.79 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.79 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.79 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.79 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.79 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.79 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.79 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.79 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.79 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.79 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.79 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.79 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.79 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.79 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.79 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.79 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.79 | |
MYT | METYRAPONE | A | 1PHG | 0.77 | |
MYT | METYRAPONE | A | 1W0G | 0.77 | |
D1G | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.7 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.75 | |
FXV | METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)- 3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE | A | 1KSN | 0.71 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.71 |