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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02280171

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SMN(S)-MANDELIC ACIDA1MDL0.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.76
2NAnaphthalen-2-ylmethanolA,B,C3EE50.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.76
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.71
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.71
RSOR-STYRENE OXIDEA,B1PWZ0.72
2LP2-ALLYLPHENOLA1OV50.71
SS2(1R)-1-PHENYLETHANOLA1ZK00.82
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.82
SS2(1R)-1-PHENYLETHANOLA1ZJY0.82
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.77
341(3,5-difluorophenyl)methanolC3EON0.78
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.7
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.79
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.79
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.76
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.72
FFD(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-
5-O-phosphono-D-erythro-pentitol
A,B,C,D,E,F,
G,H,I,J,K,L
2PIS0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.76
OBZO-benzylhydroxylamineA,B3DTH0.7
OBZO-benzylhydroxylamineA,B3DTG0.7
PEL2-PHENYL-ETHANOLA,B1I0D0.75
PEL2-PHENYL-ETHANOLD,H2I0T0.75
PEL2-PHENYL-ETHANOLA,B1HZY0.75
PEL2-PHENYL-ETHANOLA,B1I0B0.75
PEL2-PHENYL-ETHANOLA1EYW0.75
PEL2-PHENYL-ETHANOLA,B1JGM0.75
RMN(R)-MANDELIC ACIDA1MDL0.72
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.72
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.74
SS11-PHENYLETHANOLH1UM50.82
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.86
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.73
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.79
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71