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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052541

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CHP3-CHLORO-4-HYDROXYPHENYLGLYCINEA1DSR0.7
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.8
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.75
PHLL-PHENYLALANINOLA,B1JOH0.79
PHLL-PHENYLALANINOLI3APR0.79
PHLL-PHENYLALANINOLA1DLZ0.79
PHLL-PHENYLALANINOLA1IH90.79
PHLL-PHENYLALANINOLA1OB40.79
PHLL-PHENYLALANINOLI2ER60.79
PHLL-PHENYLALANINOLA1R9U0.79
PHLL-PHENYLALANINOLA1OB70.79
PHLL-PHENYLALANINOLA,B1OB60.79
PHLL-PHENYLALANINOLA,B,C1AMT0.79
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
LDPL-DOPAMINEA,B2A3R0.72
LDPL-DOPAMINEA5PAH0.72
LDPL-DOPAMINEA,B2QMZ0.72
LDPL-DOPAMINEA,B2VQ50.72
SS2(1R)-1-PHENYLETHANOLA1ZK00.76
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.76
SS2(1R)-1-PHENYLETHANOLA1ZJY0.76
TYBTYROSINALA,B1KDZ0.71
TYBTYROSINALA1Q110.71
TYBTYROSINALA,B2J5B0.71
TYBTYROSINALA,I1GA40.71
TYBTYROSINALA,B,C1NLU0.71
TYBTYROSINALA,B1KE10.71
TYBTYROSINALA,B1H3F0.71
TYBTYROSINALA,B1H3E0.71
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.79
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.7
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.7
CNTN-METHYL-META-CHLORO-TYROSINEC,D1OKX0.7
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.75
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.7
SOAISATOIC ANHYDRIDEA1BIO0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.75
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.77
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.82
LNRL-NOREPINEPHRINEA,B2QEO0.74
LNRL-NOREPINEPHRINEA3DYE0.74
LNRL-NOREPINEPHRINEA4PAH0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.8
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.8
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.8
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.8
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.8
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.71
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.83
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.83
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.8
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.8
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.8
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.75
SS11-PHENYLETHANOLH1UM50.76
HPHPHENYLALANINDIOLI1E5O0.76
HPHPHENYLALANINDIOLA,B1ODX0.76
HPHPHENYLALANINDIOLA,B1MTB0.76
HPHPHENYLALANINDIOLA,B2FGV0.76
HPHPHENYLALANINDIOLA1ODW0.76
HPHPHENYLALANINDIOLA,B2FGU0.76
HPHPHENYLALANINDIOLA,B1HXB0.76
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.82
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.8
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.8
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.8
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.8
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.8
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.8
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.8
AEF4-(2-aminoethyl)phenolA3BRA0.77
12M(2-ETHYLPHENYL)METHANOLA,B2F620.72
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.78
MNN(S)-MANDELIC ACID NITRILEA1YB60.75
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.8
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.8
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.8
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.8
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.8
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.8
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.8