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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00600222

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.75
TRTFRAGMENT OF TRITON X-100A,E2I0U0.72
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.72
2682-phenoxyethanolA2RBR0.77
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.71
4HM4-HYDROPEROXY-2-METHOXY-PHENOLA1HU90.71
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.73
2612-ethoxyphenolX2RB10.73
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.74
COUCOUMARINA3CRB0.71
COUCOUMARINA2PMJ0.71
COUCOUMARINA2H900.71
COUCOUMARINA,B,C,D1Z100.71
COUCOUMARINA2PWB0.71
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.73
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.73
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.75
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.73
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.71
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.73
258(2-chloroethoxy)benzeneX2RAY0.76
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.84