Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02135662
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 |
PYS![]() | 2-PYRIDINETHIOL | A,B | 1CTE | 0.82 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A | 2IPP | 0.82 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.74 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.74 | ![]() |
NTN![]() | ISONICOTINAMIDINE | A | 7ADH | 0.71 | ![]() |
275![]() | 5-amino-1,2-dimethylpyridinium | X | 2RBW | 0.72 | ![]() |
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 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | A,B,I | 1HIV | 0.72 | ![]() |
APY![]() | 2-AMINOMETHYL-PYRIDINE | I | 1IVP | 0.72 | ![]() |
PY2![]() | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.74 | ![]() |
OBI![]() | 1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIME | A,B | 2GYW | 0.7 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2GYV | 0.71 | ![]() |
HBP![]() | 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME | A,B | 2JF0 | 0.71 | ![]() |
286![]() | 2-ethenyl-1-methylpyridinium | X | 2RC2 | 0.76 | ![]() |
MYT![]() | METYRAPONE | A | 1PHG | 0.71 | ![]() |
MYT![]() | METYRAPONE | A | 1W0G | 0.71 | ![]() |
C53![]() | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.76 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.77 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.77 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.77 | ![]() |
SPY![]() | 4-HYDROSULFONYLPYRIDINE | A,B | 1IDB | 0.78 | ![]() |
MIL![]() | MILRINONE | A,B | 1TLM | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2E5D | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2Z77 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1DMA | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISM | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1YC5 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2ZB7 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E,F, G,H | 1R15 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2QQG | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2OTV | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2QHF | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D | 2C8A | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2HJH | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2A15 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2R6V | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 1ISI | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,D,E | 2R9J | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 2H4J | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 2OD9 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B,C,D,E | 1YC2 | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A,B | 3DZG | 0.71 | ![]() |
NCA![]() | NICOTINAMIDE | A | 1OJU | 0.71 | ![]() |
U73![]() | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.73 | ![]() |
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 | ![]() |
PBO![]() | 1-PYRIDIN-3-YLBUTAN-1-ONE | A | 1PYJ | 0.75 | ![]() |
TH4![]() | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.7 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.74 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.74 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.74 | ![]() |
D4G![]() | A,B,C,D | 2FDY | 0.79 | ![]() |