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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02263722

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.75
341(3,5-difluorophenyl)methanolC3EON0.74
RSOR-STYRENE OXIDEA,B1PWZ0.74
ETY4-ethylphenolA,B,C,D2RA60.71
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.76
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.79
SS2(1R)-1-PHENYLETHANOLA1ZK00.83
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.83
SS2(1R)-1-PHENYLETHANOLA1ZJY0.83
EPTHEPTANYL-P-PHENOLA,B1AHZ0.72
2NAnaphthalen-2-ylmethanolA,B,C3EE50.73
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.78
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.71
CGTCARBA-GLUCOTROPAEOLINM1W9B0.71
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
RMN(R)-MANDELIC ACIDA1MDL0.71
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.71
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.76
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.75
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.75
MNN(S)-MANDELIC ACID NITRILEA1YB60.78
OBZO-benzylhydroxylamineA,B3DTH0.72
OBZO-benzylhydroxylamineA,B3DTG0.72
SMN(S)-MANDELIC ACIDA1MDL0.71
1784-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)-
2-ISOPROPYLPHENOL
A,B1TVE0.71
SS11-PHENYLETHANOLH1UM50.83
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.78
2LP2-ALLYLPHENOLA1OV50.72
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.74
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.78