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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02273383

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,D1Y0G0.7
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.9
341(3,5-difluorophenyl)methanolC3EON0.84
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.85
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.81
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.78
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.81
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1MGO0.76
PFB2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOLA,B1HLD0.76
RSOR-STYRENE OXIDEA,B1PWZ0.75
2NAnaphthalen-2-ylmethanolA,B,C3EE50.73
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.78
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.8
SMN(S)-MANDELIC ACIDA1MDL0.73
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.81
SS11-PHENYLETHANOLH1UM50.85
12M(2-ETHYLPHENYL)METHANOLA,B2F620.81
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.72
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.85
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.85
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.74
ETY4-ethylphenolA,B,C,D2RA60.72
RMN(R)-MANDELIC ACIDA1MDL0.73
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.73
2LP2-ALLYLPHENOLA1OV50.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.7
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.71
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.71
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
295(2S,3S)-3-(4-fluorophenyl)-2,3-
dihydroxypropanoic acid
A,B2RJR0.73
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.71
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
PEL2-PHENYL-ETHANOLA,B1I0D0.78
PEL2-PHENYL-ETHANOLD,H2I0T0.78
PEL2-PHENYL-ETHANOLA,B1HZY0.78
PEL2-PHENYL-ETHANOLA,B1I0B0.78
PEL2-PHENYL-ETHANOLA1EYW0.78
PEL2-PHENYL-ETHANOLA,B1JGM0.78
SS2(1R)-1-PHENYLETHANOLA1ZK00.85
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.85
SS2(1R)-1-PHENYLETHANOLA1ZJY0.85