Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03224468
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 |
8ST![]() | N-(4-chlorophenyl)-2-[(pyridin- 4-ylmethyl)amino]benzamide | A | 3HNG | 0.81 | ![]() |
14C![]() | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C06 | 0.78 | ![]() |
14C![]() | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C0A | 0.78 | ![]() |
246![]() | 1-benzyl-3-(2-chloropyridin-4-yl)urea | A | 2QPM | 0.73 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.73 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.73 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.73 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.88 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.73 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.75 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.75 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.75 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.75 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.75 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.75 | ![]() |
793![]() | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.74 | ![]() |
CNQ![]() | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.77 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.75 | ![]() |
BRT![]() | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.72 | ![]() |
CLQ![]() | N4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1- DIETHYL-PENTANE-1,4-DIAMINE | A | 1CET | 0.71 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.72 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.72 | ![]() |
PM2![]() | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE | A,B,C,D | 2BM2 | 0.75 | ![]() |
MYT![]() | METYRAPONE | A | 1PHG | 0.84 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.84 | ![]() |
G44![]() | 4-({[4-(3-METHYLBENZOYL)PYRIDIN- 2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE | C,D | 2PKS | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.8 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.8 | ![]() |
ISQ![]() | ISOQUINOLINE | A | 1GDK | 0.72 | ![]() |
MIB![]() | (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT- 3-EN-2-ONE | A | 1ZS5 | 0.72 | ![]() |
A2T![]() | N-[1-(3-METHYLBUTYL)PIPERIDIN-4- YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}- 4-PENTYLBENZAMIDE | A,B | 2IGY | 0.71 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.77 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.77 | ![]() |
MIL![]() | MILRINONE | A,B | 1TLM | 0.71 | ![]() |
EPJ![]() | EPIBATIDINE | A,B,C,D,E | 2BYQ | 0.73 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.73 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.73 | ![]() |
AGE![]() | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.75 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.7 | ![]() |
IHZ![]() | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.72 | ![]() |
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 | 0.72 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.72 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.72 | ![]() |
PAA![]() | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.73 | ![]() |
C4C![]() | N-(4-chlorobenzyl)-N',N'-dimethyl- N-pyridin-2-ylethane-1,2-diamine | A | 2RA7 | 0.74 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.72 | ![]() |