Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02961463
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 |
H24![]() | (6S)-2-amino-6-(3'-methoxybiphenyl- 3-yl)-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA6 | 0.71 | ![]() |
C61![]() | (2R,4S,5S,7S)-5-AMINO-N-BUTYL-4- HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]- 2,8-DIMETHYLNONANAMIDE | C,O | 2V10 | 0.72 | ![]() |
11N![]() | 1-[1'-(3-phenylacryloyl)spiro[1- benzofuran-3,4'-piperidin]-5-yl]methanamine | A,B,C,D | 2ZEC | 0.73 | ![]() |
3AC![]() | (2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL- 2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE | A | 2B5J | 0.7 | ![]() |
TDZ![]() | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8- TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE- 2,4-DIONE | A,B | 2QM9 | 0.7 | ![]() |
TDZ![]() | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8- TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE- 2,4-DIONE | A | 2VN0 | 0.7 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.7 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.7 | ![]() |
C41![]() | ALISKIREN | C,O | 2V0Z | 0.73 | ![]() |
2NI![]() | N-{2-[(4'-CYANO-1,1'-BIPHENYL-4- YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA | A | 1ZP5 | 0.72 | ![]() |
C27![]() | (6R)-2-amino-6-[2-(3'-methoxybiphenyl- 3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin- 4(3H)-one | A | 2VA7 | 0.72 | ![]() |
183![]() | 1-((2-HYDROXYETHOXY)METHYL)-5-(3- (BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)- DIONE | A,B,C,D,E,F | 1U1F | 0.78 | ![]() |
5PP![]() | 5-PENTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B36 | 0.7 | ![]() |
4SR![]() | (4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN- 2-ONE | A,B | 1XN0 | 0.73 | ![]() |
8PS![]() | 5-OCTYL-2-PHENOXYPHENOL | A,B,C,D,E,F | 2B37 | 0.7 | ![]() |
DPD![]() | A,B | 1QIW | 0.74 | ![]() | |
DPD![]() | A | 1QIV | 0.74 | ![]() | |
Y12![]() | 4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE | A | 2EW5 | 0.77 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1OYN | 0.73 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XMY | 0.73 | ![]() |
ROL![]() | ROLIPRAM | A,B,C,D | 1Q9M | 0.73 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1RO6 | 0.73 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1XN0 | 0.73 | ![]() |
ROL![]() | ROLIPRAM | A,B | 1TBB | 0.73 | ![]() |
HQQ![]() | 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE- 2,4,6-TRIONE | A,B,C | 1G4K | 0.83 | ![]() |
HWG![]() | N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE | A,D | 1R20 | 0.74 | ![]() |
BBB![]() | 1-((2-HYDROXYETHOXY)METHYL)-5-(3- (BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE- 2,4(1H,3H)-DIONE | A,B,C,D,E,F | 1U1G | 0.78 | ![]() |
JT6![]() | 3-[(4'-cyanobiphenyl-4-yl)oxy]- N-hydroxypropanamide | A | 2JT6 | 0.71 | ![]() |
PFD![]() | 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE- 2,4,6(1H,3H,5H)-TRIONE | A,B | 1YOU | 0.75 | ![]() |
E20![]() | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.71 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XOM | 0.71 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XLX | 0.71 | ![]() |