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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023588

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRTFRAGMENT OF TRITON X-100A,E2I0U0.72
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.72
2612-ethoxyphenolX2RB10.77
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.78
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.81
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.75
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.71
TBP2,4,6-TRIBROMOPHENOLL1E5A0.71
WRB1-[3-(4-BROMO-PHENOXY)-PROPOXY]-
6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-
2,4-DIAMINE
A1DG70.78
2BR2-BROMOPHENOLA,B,C,D2A9W0.75
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.78
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.77
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.72
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.72
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.92
BML4-BROMOPHENOLA,B,E3DHH0.77
BML4-BROMOPHENOLA,B1XU30.77
BML4-BROMOPHENOLA,B1T0S0.77
2682-phenoxyethanolA2RBR0.8
258(2-chloroethoxy)benzeneX2RAY0.81
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.71