Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02131571
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 |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | B | 1C5Y | 0.79 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5U | 0.79 | ![]() |
ESP![]() | THIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINE | A | 1C5T | 0.79 | ![]() |
RRR![]() | 4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}- 1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN- 2-ONE | A | 1NFW | 0.73 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D | 2RFQ | 0.71 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 2GA4 | 0.71 | ![]() |
1PS![]() | 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE | A,B,C,D,E,F | 1R4P | 0.71 | ![]() |
PY2![]() | 3-(MERCAPTOMETHYLENE)PYRIDINE | A,B | 1IDA | 0.74 | ![]() |
654![]() | 4-(2-THIENYL)-1-(4-METHYLBENZYL)- 1H-IMIDAZOLE | A,B | 1I2Z | 0.72 | ![]() |
NHB![]() | N-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)- 2-THIENYL]SULFONYL}AMINO)BENZAMIDE | A,B | 1W22 | 0.7 | ![]() |
D4G![]() | A,B,C,D | 2FDY | 0.72 | ![]() | |
C53![]() | 2-IMINO-5-(1-PYRIDIN-2-YL-METH- (E)-YLIDENE)-1,3-THIAZOLIDIN-4- ONE | A | 2V0D | 0.71 | ![]() |
PR2![]() | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2- OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN- 2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | A | 1F0S | 0.7 | ![]() |
TH4![]() | {(2Z)-3-[(6-chloropyridin-3-yl)methyl]- 1,3-thiazolidin-2-ylidene}cyanamide | A,B,C,D,E | 3C84 | 0.74 | ![]() |
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 | 0.73 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P2Y | 0.73 | ![]() |
NCT![]() | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE | A | 1P7R | 0.73 | ![]() |
U73![]() | N-(5-ISOPROPYL-THIAZOL-2-YL)-2- PYRIDIN-3-YL-ACETAMIDE | A | 2BTR | 0.73 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1EUB | 0.71 | ![]() |
3MP![]() | 3-METHYLPYRIDINE | A | 1BM6 | 0.71 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A,B | 1CTE | 0.7 | ![]() |
PYS![]() | 2-PYRIDINETHIOL | A | 2IPP | 0.7 | ![]() |