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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01775216

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
258(2-chloroethoxy)benzeneX2RAY0.84
TRTFRAGMENT OF TRITON X-100A,E2I0U0.72
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.72
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.79
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.81
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.77
OA56-(2-phenoxyethoxy)-1,3,5-triazine-
2,4-diamine
A,B2W6Q0.72
2682-phenoxyethanolA2RBR0.85
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.71
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.71
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.74
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.74
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.73
2612-ethoxyphenolX2RB10.79
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.71
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.73
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.7
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.79
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.71
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.71
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.73