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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00024034

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.73
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.83
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.83
SS2(1R)-1-PHENYLETHANOLA1ZK00.81
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.81
SS2(1R)-1-PHENYLETHANOLA1ZJY0.81
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
2NAnaphthalen-2-ylmethanolA,B,C3EE50.75
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.8
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
PEL2-PHENYL-ETHANOLA,B1I0D0.76
PEL2-PHENYL-ETHANOLD,H2I0T0.76
PEL2-PHENYL-ETHANOLA,B1HZY0.76
PEL2-PHENYL-ETHANOLA,B1I0B0.76
PEL2-PHENYL-ETHANOLA1EYW0.76
PEL2-PHENYL-ETHANOLA,B1JGM0.76
12M(2-ETHYLPHENYL)METHANOLA,B2F620.81
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.74
341(3,5-difluorophenyl)methanolC3EON0.82
ETY4-ethylphenolA,B,C,D2RA60.7
3BZ3-chlorobenzoateX2QVZ0.71
3BZ3-chlorobenzoateX2QVX0.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.84
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.83
SS11-PHENYLETHANOLH1UM50.81
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.78
PCRP-CRESOLA1JHV0.7
PCRP-CRESOLA1JHU0.7
PCRP-CRESOLA,B,C,D1DIQ0.7
1744-CHLORO-BENZOIC ACIDX3DLP0.71
1744-CHLORO-BENZOIC ACIDX1T5D0.71
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.74
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.74
MNN(S)-MANDELIC ACID NITRILEA1YB60.74
2LP2-ALLYLPHENOLA1OV50.7
43M4-CHLORO-3-METHYLPHENOLA2P7A0.76
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.72
BP32'-CHLORO-BIPHENYL-2,3-DIOLA1LGT0.71
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72