Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02630724
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 |
AGE![]() | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.71 | ![]() |
PM2![]() | 1-[3-(1-{[5-(2-PHENYLETHYL)PYRIDIN- 3-YL]CARBONYL}PIPERIDIN-4-YL)PHENYL]METHANAMINE | A,B,C,D | 2BM2 | 0.72 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.79 | ![]() |
364![]() | 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2- DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 2E94 | 0.71 | ![]() |
OPN![]() | {(2-AMINO-ETHYL)-[2-(2-OXO-1,2- DIHYDRO-[1,8]NAPHTHYRIDIN-3-YL)- ACETYL]-AMINO}-ACETIC ACID | A,B,C,D | 1HZS | 0.73 | ![]() |
PAA![]() | (N-METHYLPYRIDYL)ACETIC ACID | I | 1HBT | 0.79 | ![]() |
NI9![]() | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A | 2OPM | 0.73 | ![]() |
NI9![]() | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYF | 0.73 | ![]() |
NI9![]() | 3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM | A,B | 3DYG | 0.73 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHQ | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5L | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2F7F | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5K | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHY | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1FSL | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L5M | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1LH6 | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHO | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 3CI8 | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICU | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHA | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHV | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1L4N | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 2LH6 | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1D0V | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A,B,C,D | 1ICV | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A,B | 1ICR | 0.74 | ![]() |
NIO![]() | NICOTINIC ACID | A | 1JHR | 0.74 | ![]() |
BRT![]() | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.73 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.74 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.74 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2G97 | 0.79 | ![]() |
DGB![]() | N-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]- 3-PYRIDIN-3-YLPROPANAMIDE | A,B | 2GVJ | 0.79 | ![]() |
PYF![]() | 3-PYRIDINYLCARBINOL | A,B | 1R16 | 0.73 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.85 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.72 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.72 | ![]() |
OBI![]() | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.77 | ![]() |
PF7![]() | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.71 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.82 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.82 | ![]() |
A2T![]() | N-[1-(3-METHYLBUTYL)PIPERIDIN-4- YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}- 4-PENTYLBENZAMIDE | A,B | 2IGY | 0.73 | ![]() |
MYT![]() | METYRAPONE | A | 1PHG | 0.76 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.76 | ![]() |
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 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B,C | 2W2I | 0.73 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A | 2GKL | 0.73 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2VD7 | 0.73 | ![]() |
PD2![]() | PYRIDINE-2,4-DICARBOXYLIC ACID | A,B | 2JIG | 0.73 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YV5 | 0.72 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 1RQJ | 0.72 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YQ7 | 0.72 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 1YHL | 0.72 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A | 2QIS | 0.72 | ![]() |
RIS![]() | 1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS- PHOSPHONIC ACID | A,B | 2O1O | 0.72 | ![]() |
NA9![]() | N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE | H,P | 2A2X | 0.7 | ![]() |
14C![]() | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C06 | 0.71 | ![]() |
14C![]() | 2-(2-chloropyridin-4-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3C0A | 0.71 | ![]() |
MIL![]() | MILRINONE | A,B | 1TLM | 0.79 | ![]() |
PY2![]() | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.71 | ![]() |
U73![]() | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.72 | ![]() |
CII![]() | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.7 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 2QSZ | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 1TA8 | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 1HYB | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BAA | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BA9 | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1NUP | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1NUS | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1Y1P | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B,C,D,E,F | 2GVG | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BA8 | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 3BAB | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 3DZK | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B,C | 1GZU | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2H3D | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2G96 | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A | 2QG6 | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 1ISJ | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 3DZJ | 0.73 | ![]() |
NMN![]() | BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE | A,B | 2HCT | 0.73 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.83 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.83 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.83 | ![]() |
PY7![]() | PYRIDIN-4-YLMETHANOL | A | 2EUR | 0.76 | ![]() |
NA3![]() | (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}- 4-OXOBUTANOIC ACID | A | 1RE1 | 0.71 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A,B | 3E67 | 0.7 | ![]() |
BVF![]() | 4-METHYLPYRIDIN-2-AMINE | A | 2EUT | 0.7 | ![]() |
GPI![]() | (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3- DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE | A | 1F40 | 0.73 | ![]() |
PRR![]() | 3-(METHYL-PYRIDINIUM)ALANINE | H,I,J | 7KME | 0.73 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCL | 0.73 | ![]() |
INO![]() | 2-HYDROXYISONICOTINIC ACID N-OXIDE | M,N,O,P,Q,R | 3PCJ | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.81 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.81 | ![]() |
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 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.87 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.87 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.87 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.87 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.87 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.87 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7S | 0.71 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B | 3E7M | 0.71 | ![]() |
AT2![]() | ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE- 1-CARBOXYLATE | A,B,C,D | 3E7G | 0.71 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.7 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.72 | ![]() |
NNR![]() | Nicotinamide riboside | A | 2QT0 | 0.77 | ![]() |
NNR![]() | Nicotinamide riboside | A | 2QT1 | 0.77 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNF | 0.7 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2H9V | 0.7 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A,B | 2ETR | 0.7 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNJ | 0.7 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 1Q8T | 0.7 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.73 | ![]() |
PMC![]() | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.71 | ![]() |