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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03340085

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SS11-PHENYLETHANOLH1UM50.77
OBZO-benzylhydroxylamineA,B3DTH0.71
OBZO-benzylhydroxylamineA,B3DTG0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.72
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.78
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.77
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.77
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.77
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.72
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.72
HPHPHENYLALANINDIOLI1E5O0.73
HPHPHENYLALANINDIOLA,B1ODX0.73
HPHPHENYLALANINDIOLA,B1MTB0.73
HPHPHENYLALANINDIOLA,B2FGV0.73
HPHPHENYLALANINDIOLA1ODW0.73
HPHPHENYLALANINDIOLA,B2FGU0.73
HPHPHENYLALANINDIOLA,B1HXB0.73
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.77
SBZ[4-(1,3,2-DIOXABOROLAN-2-YLOXY)METHYL]BENZAMIDINEA1S850.77
SOAISATOIC ANHYDRIDEA1BIO0.71
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.76
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.76
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.75
SS2(1R)-1-PHENYLETHANOLA1ZK00.77
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.77
SS2(1R)-1-PHENYLETHANOLA1ZJY0.77
12M(2-ETHYLPHENYL)METHANOLA,B2F620.73
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.7
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.76
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.76
PHLL-PHENYLALANINOLA,B1JOH0.75
PHLL-PHENYLALANINOLI3APR0.75
PHLL-PHENYLALANINOLA1DLZ0.75
PHLL-PHENYLALANINOLA1IH90.75
PHLL-PHENYLALANINOLA1OB40.75
PHLL-PHENYLALANINOLI2ER60.75
PHLL-PHENYLALANINOLA1R9U0.75
PHLL-PHENYLALANINOLA1OB70.75
PHLL-PHENYLALANINOLA,B1OB60.75
PHLL-PHENYLALANINOLA,B,C1AMT0.75
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
LNRL-NOREPINEPHRINEA,B2QEO0.72
LNRL-NOREPINEPHRINEA3DYE0.72
LNRL-NOREPINEPHRINEA4PAH0.72
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.75
AEF4-(2-aminoethyl)phenolA3BRA0.72
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.74
MNN(S)-MANDELIC ACID NITRILEA1YB60.75
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.71
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.72
PEL2-PHENYL-ETHANOLA,B1I0D0.7
PEL2-PHENYL-ETHANOLD,H2I0T0.7
PEL2-PHENYL-ETHANOLA,B1HZY0.7
PEL2-PHENYL-ETHANOLA,B1I0B0.7
PEL2-PHENYL-ETHANOLA1EYW0.7
PEL2-PHENYL-ETHANOLA,B1JGM0.7
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.83