Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00504168
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 |
BC3 | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.71 | |
QYT | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.79 | |
MIL | MILRINONE | A,B | 1TLM | 0.72 | |
793 | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.73 | |
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 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.77 | |
9DG | 9-DEAZAGUANINE | A,B,C,D,E | 1Q2S | 0.71 | |
9DG | 9-DEAZAGUANINE | A | 1IL4 | 0.71 | |
9DG | 9-DEAZAGUANINE | A,C | 1FSG | 0.71 | |
9DG | 9-DEAZAGUANINE | A,B,C,D | 1Q2R | 0.71 | |
YE7 | IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE | A | 2P98 | 0.72 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.71 | |
LUM | LUMICHROME | A | 2CC6 | 0.72 | |
LUM | LUMICHROME | A,B | 1S4M | 0.72 | |
LUM | LUMICHROME | A | 2CC7 | 0.72 | |
LUM | LUMICHROME | A | 1HE5 | 0.72 | |
PYA | 3-(1,10-PHENANTHROL-2-YL)-L-ALANINE | A | 1HCW | 0.71 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.72 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.72 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.72 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.72 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.72 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.72 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.73 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.74 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.75 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.72 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.72 | |
HI6 | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.72 | |
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 | |
QMS | N-(QUINOLIN-8-YL)METHANESULFONAMIDE | A | 2BB7 | 0.75 | |
460 | 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3- DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE | A | 1VJY | 0.73 | |
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 | 0.7 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.71 | |
PPX | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.7 | |
BO2 | N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]- N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE | 2,H,K,N,V,Y | 2F16 | 0.75 | |
5IQ | ISOQUINOLIN-5-AMINE | A,B | 2F2T | 0.72 | |
PBO | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.7 | |
CNQ | 3-(4-CHLOROPHENYL)QUINOXALINE-5- CARBOXAMIDE | A,B,C,D | 1WOK | 0.79 | |
4AP | 4-AMINOPYRIDINE | A | 1AEG | 0.7 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1PFE | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 2DA8 | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A,C,E,G | 2ADW | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1VS2 | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVN | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 185D | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A | 1XVK | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A,C | 1XVR | 0.86 | |
QUI | 2-CARBOXYQUINOXALINE | A,B | 3GO3 | 0.86 | |
DA1 | PYRIDINE-2,5-DIAMINE | A | 2AQD | 0.71 | |
BFA | 9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2- DIMETHYLAMINO-ETHYL)-AMIDE | A,B | 1EG6 | 0.7 | |
C48 | N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE | A | 1CVZ | 0.72 | |
11X | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.74 | |
286 | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.72 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.76 | |
NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.76 | |
NCA | NICOTINAMIDE | A,B | 1DMA | 0.76 | |
NCA | NICOTINAMIDE | A,B | 1ISM | 0.76 | |
NCA | NICOTINAMIDE | A,B | 1YC5 | 0.76 | |
NCA | NICOTINAMIDE | A | 2ZB7 | 0.76 | |
NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.76 | |
NCA | NICOTINAMIDE | A,B | 2QQG | 0.76 | |
NCA | NICOTINAMIDE | A | 2OTV | 0.76 | |
NCA | NICOTINAMIDE | A | 2QHF | 0.76 | |
NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.76 | |
NCA | NICOTINAMIDE | A,B | 2HJH | 0.76 | |
NCA | NICOTINAMIDE | A | 2A15 | 0.76 | |
NCA | NICOTINAMIDE | A | 2R6V | 0.76 | |
NCA | NICOTINAMIDE | A,B | 1ISI | 0.76 | |
NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.76 | |
NCA | NICOTINAMIDE | A | 2H4J | 0.76 | |
NCA | NICOTINAMIDE | A,B | 2OD9 | 0.76 | |
NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.76 | |
NCA | NICOTINAMIDE | A,B | 3DZG | 0.76 | |
NCA | NICOTINAMIDE | A | 1OJU | 0.76 | |
IHZ | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.72 | |
PHN | 1,10-PHENANTHROLINE | A | 1LIH | 0.76 | |
PHN | 1,10-PHENANTHROLINE | A | 2LIG | 0.76 | |
PHN | 1,10-PHENANTHROLINE | A,B | 2FU7 | 0.76 | |
34Q | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.86 | |
9HX | 9-DEAZAHYPOXANTHINE | A,B,C | 1I80 | 0.73 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.76 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.76 | |
CII | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.73 |