Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02077125
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 |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.73 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.73 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.71 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.73 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.73 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.71 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHQ | 0.74 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2WHP | 0.74 | ![]() |
HI6![]() | 4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM- 1-YL}METHOXY)METHYL]PYRIDINIUM | A,B | 2GYU | 0.74 | ![]() |
1CM![]() | (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE | A | 2CI0 | 0.71 | ![]() |
793![]() | 3-{[(1R)-1-phenylethyl]amino}-4- (pyridin-4-ylamino)cyclobut-3-ene- 1,2-dione | A | 3FPM | 0.7 | ![]() |
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 | ![]() |
CDD![]() | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (1-OXIDO-2-PYRIDINYL)ETHYL]AMINO}- 2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUOROPHENYL)METHYL]ACETAMIDE | B,C | 1MUE | 0.7 | ![]() |
C53![]() | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.85 | ![]() |
U73![]() | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.82 | ![]() |
HM5![]() | 3-[(2,2-DIMETHYLPROPANOYL)AMINO]- N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE | A | 2NQ7 | 0.73 | ![]() |
HM4![]() | TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN- 3-YL}CARBAMATE | A | 2NQ6 | 0.7 | ![]() |
K27![]() | 4-carbamoyl-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium- 1-yl}propyl)pyridinium | A,B | 2WHR | 0.71 | ![]() |
MIL![]() | MILRINONE | A,B | 1TLM | 0.79 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.71 | ![]() |
PY2![]() | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.71 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.73 | ![]() |
C8C![]() | 2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin- 4(3H)-one | A | 2VA5 | 0.71 | ![]() |
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 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNF | 0.72 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2H9V | 0.72 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A,B | 2ETR | 0.72 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 2GNJ | 0.72 | ![]() |
Y27![]() | (R)-TRANS-4-(1-AMINOETHYL)-N-(4- PYRIDYL) CYCLOHEXANECARBOXAMIDE | A | 1Q8T | 0.72 | ![]() |
CK2![]() | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN- 2-AMINE | A,C | 2C5O | 0.7 | ![]() |
CK2![]() | 4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN- 2-AMINE | A | 1PXJ | 0.7 | ![]() |
TH4![]() | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.72 | ![]() |
CM9![]() | CIS-4-METHYL-N-[(1S)-3-(METHYLSULFANYL)- 1-(PYRIDIN-4-YLCARBAMOYL)PROPYL]CYCLOHEXANECARBOXAMIDE | A | 2W09 | 0.74 | ![]() |
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 | 0.74 | ![]() |
QYT![]() | (5E)-5-(QUINOXALIN-6-YLMETHYLENE)- 1,3-THIAZOLIDINE-2,4-DIONE | A | 2A5U | 0.73 | ![]() |
CDB![]() | 2-(6-CHLORO-3-{[2,2-DIFLUORO-2- (2-PYRIDINYL)ETHYL]AMINO}-2-OXO- 1(2H)-PYRAZINYL)-N-[(2-FLUORO-3- METHYL-6-PYRIDINYL)METHYL]ACETAMIDE | B,C | 1MU8 | 0.72 | ![]() |
11X![]() | N-(pyridin-3-ylmethyl)aniline | A | 3EJ0 | 0.72 | ![]() |