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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010311

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.78
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.75
1NH(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]-
3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE
B1O1S0.72
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.78
341(3,5-difluorophenyl)methanolC3EON0.74
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.72
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.71
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.72
2NAnaphthalen-2-ylmethanolA,B,C3EE50.74
2DM2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATEA,B1S880.71
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
B08A,B2E990.76
12M(2-ETHYLPHENYL)METHANOLA,B2F620.77
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
B28A,B2E9A0.76
BDBA,B1KE30.71
CP5(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-
2-PHENYLACRYLATE
A1SCW0.76
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.76
BPM4-PHOSPHONOOXY-PHENYL-METHYL-[4-
PHOSPHONOOXY]BENZEN
A1AAX0.83