Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00081349
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 |
H7J | N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT- 3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}- 1,2-DIMETHYLPROPYL]BENZAMIDE | A,B,C | 2HXZ | 0.75 | |
H7J | N-[(1S)-1-{1-[(1R,3E)-1-ACETYLPENT- 3-EN-1-YL]-1H-1,2,3-TRIAZOL-4-YL}- 1,2-DIMETHYLPROPYL]BENZAMIDE | A,B | 2H7J | 0.75 | |
MIL | MILRINONE | A,B | 1TLM | 0.72 | |
LZ7 | 4-(acetylamino)-N-(4-fluorophenyl)- 1H-pyrazole-3-carboxamide | A | 2VTN | 0.81 | |
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 | |
LZA | {[(2,6-difluorophenyl)carbonyl]amino}- N-piperidin-4-yl-1H-pyrazole-3- carboxamide | A | 2VTQ | 0.74 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B,C,D | 1W6F | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2V2E | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | X | 2VCF | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCS | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A | 2VCN | 0.73 | |
ISZ | 4-(DIAZENYLCARBONYL)PYRIDINE | A,B | 1XR3 | 0.73 | |
K27 | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.72 | |
C53 | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.72 | |
1CM | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.71 | |
275 | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.73 | |
34Q | (3R,4R)-4-(pyrrolidin-1-ylcarbonyl)- 1-(quinoxalin-2-ylcarbonyl)pyrrolidin- 3-amine | A | 2RIP | 0.76 | |
IHZ | 5-[(2-methyl-5-{[3-(trifluoromethyl)phenyl]carbamoyl}phenyl)amino]pyridine- 3-carboxamide | A | 3DKO | 0.71 | |
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 | |
NCA | NICOTINAMIDE | A,B | 2E5D | 0.72 | |
NCA | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.72 | |
NCA | NICOTINAMIDE | A,B | 1DMA | 0.72 | |
NCA | NICOTINAMIDE | A,B | 1ISM | 0.72 | |
NCA | NICOTINAMIDE | A,B | 1YC5 | 0.72 | |
NCA | NICOTINAMIDE | A | 2ZB7 | 0.72 | |
NCA | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.72 | |
NCA | NICOTINAMIDE | A,B | 2QQG | 0.72 | |
NCA | NICOTINAMIDE | A | 2OTV | 0.72 | |
NCA | NICOTINAMIDE | A | 2QHF | 0.72 | |
NCA | NICOTINAMIDE | A,B,C,D | 2C8A | 0.72 | |
NCA | NICOTINAMIDE | A,B | 2HJH | 0.72 | |
NCA | NICOTINAMIDE | A | 2A15 | 0.72 | |
NCA | NICOTINAMIDE | A | 2R6V | 0.72 | |
NCA | NICOTINAMIDE | A,B | 1ISI | 0.72 | |
NCA | NICOTINAMIDE | A,D,E | 2R9J | 0.72 | |
NCA | NICOTINAMIDE | A | 2H4J | 0.72 | |
NCA | NICOTINAMIDE | A,B | 2OD9 | 0.72 | |
NCA | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.72 | |
NCA | NICOTINAMIDE | A,B | 3DZG | 0.72 | |
NCA | NICOTINAMIDE | A | 1OJU | 0.72 | |
NOW | Nalpha-[(3-tert-butyl-1-methyl- 1H-pyrazol-5-yl)carbonyl]-N-[(2Z)- 2-iminoethyl]-3-methyl-L-phenylalaninamide | A,B,C,D | 3HHA | 0.77 | |
APY | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.7 | |
APY | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.7 | |
LZD | 4-{[(2,6-difluorophenyl)carbonyl]amino}- N-[(3S)-piperidin-3-yl]-1H-pyrazole- 3-carboxamide | A | 2VTT | 0.74 | |
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 | |
C48 | N1-(1-DIMETHYLCARBAMOYL-2-PHENYL- ETHYL)-2-OXO-N4-(2-PYRIDIN-2-YL- ETHYL)-SUCCINAMIDE | A | 1CVZ | 0.7 | |
DMY | DISTAMYCIN A | A | 217D | 0.76 | |
DMY | DISTAMYCIN A | A | 1K2Z | 0.76 | |
DMY | DISTAMYCIN A | A,B,E,F | 2JT7 | 0.76 | |
DMY | DISTAMYCIN A | A,B | 267D | 0.76 | |
DMY | DISTAMYCIN A | A | 306D | 0.76 | |
DMY | DISTAMYCIN A | A | 304D | 0.76 | |
DMY | DISTAMYCIN A | A | 305D | 0.76 | |
DMY | DISTAMYCIN A | A | 1JUX | 0.76 | |
DMY | DISTAMYCIN A | A | 2DND | 0.76 | |
DMY | DISTAMYCIN A | A,B,C,D | 378D | 0.76 | |
DMY | DISTAMYCIN A | B | 1JTL | 0.76 | |
DMY | DISTAMYCIN A | A | 159D | 0.76 | |
DMY | DISTAMYCIN A | A | 216D | 0.76 | |
QYT | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.7 | |
3AP | 3-AMINOPYRIDINE | A | 1AEF | 0.71 | |
279 | N-ethyl-4-{[5-(methoxycarbamoyl)- 2-methylphenyl]amino}-5-methylpyrrolo[2,1- f][1,2,4]triazine-6-carboxamide | A | 2RG5 | 0.7 | |
BC3 | 2-amino-7-(pyridin-3-ylmethyl)- 3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin- 4-one | A,B,C | 3DJF | 0.72 | |
HM5 | 3-[(2,2-DIMETHYLPROPANOYL)AMINO]- N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE | A | 2NQ7 | 0.71 | |
PPX | [PHENYLALANINYL-PROLINYL]-[2-(PYRIDIN- 4-YLAMINO)-ETHYL]-AMINE | E,H | 1QBV | 0.73 | |
LZ9 | {[(2,6-difluorophenyl)carbonyl]amino}- N-(4-fluorophenyl)-1H-pyrazole- 3-carboxamide | A | 2VTP | 0.73 | |
LZE | 4-{[(2,6-dichlorophenyl)carbonyl]amino}- N-piperidin-4-yl-1H-pyrazole-3- carboxamide | A | 2VU3 | 0.71 | |
PB5 | N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE- 4,6-DICARBOXAMIDE | A,B | 1XUR | 0.72 | |
33A | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OK1 | 0.72 | |
33A | N-BENZYL-4-[4-(3-CHLOROPHENYL)- 1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJI | 0.72 | |
19A | N,N-DIMETHYL-4-(4-PHENYL-1H-PYRAZOL- 3-YL)-1H-PYRROLE-2-CARBOXAMIDE | A | 2OJG | 0.77 | |
LZ5 | N-phenyl-1H-pyrazole-3-carboxamide | A | 2VTL | 0.83 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | A | 1LEY | 0.73 | |
ILT | MONOIMIDAZOLE LEXITROPSIN | B | 1LEX | 0.73 | |
9HX | 9-DEAZAHYPOXANTHINE | A,B,C | 1I80 | 0.75 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | A,D,E,G,I,J | 1S32 | 0.72 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | D,I,J | 1M18 | 0.72 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M1A | 0.72 | |
PYB | 4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACID | E,I,J | 1M19 | 0.72 | |
CII | N-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamide | A | 2W0A | 0.73 | |
9DG | 9-DEAZAGUANINE | A,B,C,D,E | 1Q2S | 0.75 | |
9DG | 9-DEAZAGUANINE | A | 1IL4 | 0.75 | |
9DG | 9-DEAZAGUANINE | A,C | 1FSG | 0.75 | |
9DG | 9-DEAZAGUANINE | A,B,C,D | 1Q2R | 0.75 |