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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00171681

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BQN4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-
2,3-bis(trifluoromethyl)phenyl]prop-
2-enoyl}morpholine
B,C3BQN0.7
W37N-(6-{[1-(4-BROMOPHENYL)ISOQUINOLIN-
6-YL]OXY}HEXYL)-N-METHYLPROP-2-
EN-1-AMINE
A,B,C1O6H0.7
1FA[(7-{[2-(3-MORPHOLIN-4-YLPROP-1-
YN-1-YL)-6-{[4-(TRIFLUOROMETHYL)PHENYL]ETHYNYL}PYRIDIN-
4-YL]THIO}-2,3-DIHYDRO-1H-INDEN-
4-YL)OXY]ACETIC ACID
A,B2Q5G0.72
M99(R)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-
2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-
HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-
OXIDE
A,B,C,D2FM50.73
DEH2,9-dihydroxy-3,10-dimethoxy-5,6-
dihydroisoquino[3,2-a]isoquinolinium
A3GSY0.7
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE
A2FVJ0.71
TEI2-(3-CYANO-4-ISOBUTOXY-PHENYL)-
4-METHYL-5-THIAZOLE-CARBOXYLIC ACID
A,B1N5X0.73
M98(S)-3-(2-(3-CYCLOPROPOXY-4-(DIFLUOROMETHOXY)PHENYL)-
2-(5-(1,1,1,3,3,3-HEXAFLUORO-2-
HYDROXYPROPAN-2-YL)THIAZOL-2-YL)ETHYL)PYRIDINE 1-
OXIDE
A,B,C,D2FM00.73