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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02544054

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HF14-(2-HYDROXY-4-FLUOROPHENYLTHIO)-
BUTYLPHOSPHONIC ACID
A,B1C9D0.74
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.71
258(2-chloroethoxy)benzeneX2RAY0.73
2612-ethoxyphenolX2RB10.74
STH2-AMINO-4H-1,3-BENZOXATHIIN-4-OLA,B,C,D1XKL0.73
8MR(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACIDA,B2OW20.81
PSYphenyl ethenesulfonateA3BM80.72
PSYphenyl ethenesulfonateA3BLT0.72
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.81
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.81
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.84
HTS2-MERCAPTOPHENOLA2OSM0.71
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.7
2682-phenoxyethanolA2RBR0.79
HSP4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACIDA,B1CW20.74
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.71
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C8V0.76
HE14-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACIDA,B1C290.76
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.74