Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03210543
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 |
NA9![]() | N-(CARBOXYMETHYL)-3-CYCLOHEXYL- D-ALANYL-N-({6-[AMINO(IMINO)METHYL]PYRIDIN- 3-YL}METHYL)-N~2~-METHYL-L-ALANINAMIDE | H,P | 2A2X | 0.71 | ![]() |
CDA![]() | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-6- PYRIDINYL)METHYL]ACETAMIDE | B,C | 1MU6 | 0.71 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.78 | ![]() |
U05![]() | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1RTH | 0.7 | ![]() |
U05![]() | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1RT3 | 0.7 | ![]() |
U05![]() | 6,11-DIHYDRO-11-ETHYL-6-METHYL- 9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN- 5-ONE | A | 1LW2 | 0.7 | ![]() |
3AP![]() | 3-AMINOPYRIDINE | A | 1AEF | 0.7 | ![]() |
311![]() | (3,3-dimethylpiperidin-1-yl)(6- (3-fluoro-4-methylphenyl)pyridin- 2-yl)methanone | A,B,D,E | 3CH6 | 0.75 | ![]() |
A2T![]() | N-[1-(3-METHYLBUTYL)PIPERIDIN-4- YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}- 4-PENTYLBENZAMIDE | A,B | 2IGY | 0.7 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.76 | ![]() |
PMC![]() | 3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1I43 | 0.73 | ![]() |
A1T![]() | 5-PENTYL-N-{[4'-(PIPERIDIN-1-YLCARBONYL)BIPHENYL- 4-YL]METHYL}-N-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN- 4-YL]PYRIDINE-2-CARBOXAMIDE | A | 2IGX | 0.75 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEY | 0.79 | ![]() |
HLO![]() | 1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM | A,B | 2JEZ | 0.79 | ![]() |
9HX![]() | 9-DEAZAHYPOXANTHINE | A,B,C | 1I80 | 0.71 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.71 | ![]() |
278![]() | 1-(1-methyl-1H-pyrrol-2-yl)methanamine | X | 2RBV | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.78 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.78 | ![]() |
34Q![]() | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.71 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.7 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.7 | ![]() |
C53![]() | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.73 | ![]() |
NTM![]() | QUINOLINIC ACID | A | 3C2O | 0.71 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B | 1QAP | 0.71 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.71 | ![]() |
NTM![]() | QUINOLINIC ACID | A,B,C | 2B7N | 0.71 | ![]() |
MIL![]() | MILRINONE | A,B | 1TLM | 0.73 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.71 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.71 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.71 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.71 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.71 | ![]() |
PDC![]() | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.71 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.76 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.76 | ![]() |
BRT![]() | 5-BROMONICOTINAMIDE | A,B | 1GXZ | 0.7 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.76 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.78 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.78 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNF | 0.71 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2H9V | 0.71 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A,B | 2ETR | 0.71 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNJ | 0.71 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 1Q8T | 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 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.78 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.78 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.78 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.78 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.78 | ![]() |
ISZ![]() | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.78 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.76 | ![]() |
PPX![]() | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.7 | ![]() |
BP5![]() | 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE | A | 2PXH | 0.7 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.8 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.8 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.8 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.72 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.72 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.72 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.72 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.72 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.72 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.72 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.72 | ![]() |
QUI![]() | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.72 | ![]() |
CM9![]() | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.72 | ![]() |
MYT![]() | METYRAPONE | A | 1PHG | 0.73 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.73 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLN | 0.79 | ![]() |
6PC![]() | PYRIDINE-2-CARBOXYLIC ACID | A | 2OLO | 0.79 | ![]() |
AGE![]() | (2E)-N-hydroxy-3-[1-methyl-4-(phenylacetyl)- 1H-pyrrol-2-yl]prop-2-enamide | A,B,C | 3F07 | 0.75 | ![]() |
SB9![]() | HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDE | P | 2AIE | 0.77 | ![]() |
PB5![]() | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUR | 0.72 | ![]() |
C48![]() | N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE | A | 1CVZ | 0.73 | ![]() |
CII![]() | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.75 | ![]() |
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 | ![]() |
BO2![]() | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]- N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | 2,H,K,N,V,Y | 2F16 | 0.72 | ![]() |