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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02548176

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPHPHENYLALANINDIOLI1E5O0.77
HPHPHENYLALANINDIOLA,B1ODX0.77
HPHPHENYLALANINDIOLA,B1MTB0.77
HPHPHENYLALANINDIOLA,B2FGV0.77
HPHPHENYLALANINDIOLA1ODW0.77
HPHPHENYLALANINDIOLA,B2FGU0.77
HPHPHENYLALANINDIOLA,B1HXB0.77
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.85
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.85
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.76
CNTN-METHYL-META-CHLORO-TYROSINEC,D1OKX0.73
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.78
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.78
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.8
PHLL-PHENYLALANINOLA,B1JOH0.8
PHLL-PHENYLALANINOLI3APR0.8
PHLL-PHENYLALANINOLA1DLZ0.8
PHLL-PHENYLALANINOLA1IH90.8
PHLL-PHENYLALANINOLA1OB40.8
PHLL-PHENYLALANINOLI2ER60.8
PHLL-PHENYLALANINOLA1R9U0.8
PHLL-PHENYLALANINOLA1OB70.8
PHLL-PHENYLALANINOLA,B1OB60.8
PHLL-PHENYLALANINOLA,B,C1AMT0.8
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.78
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.78
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.78
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.79
SS11-PHENYLETHANOLH1UM50.75
CLDD-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINEA1AVT0.7
GVQ(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINEA2UW80.7
CLBD-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINEA1VSB0.7
CHP3-CHLORO-4-HYDROXYPHENYLGLYCINEA1DSR0.71
TYBTYROSINALA,B1KDZ0.72
TYBTYROSINALA1Q110.72
TYBTYROSINALA,B2J5B0.72
TYBTYROSINALA,I1GA40.72
TYBTYROSINALA,B,C1NLU0.72
TYBTYROSINALA,B1KE10.72
TYBTYROSINALA,B1H3F0.72
TYBTYROSINALA,B1H3E0.72
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.83
MNN(S)-MANDELIC ACID NITRILEA1YB60.72
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.76
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.7
AEF4-(2-aminoethyl)phenolA3BRA0.75
DTYD-TYROSINEA1C4B0.7
DTYD-TYROSINEA,L1ZEA0.7
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.7
DTYD-TYROSINEA,B1UNO0.7
DTYD-TYROSINEA2IGZ0.7
DTYD-TYROSINEA,B,C,H,K,L2R5D0.7
DTYD-TYROSINEA,B2Q330.7
DTYD-TYROSINEH,S2H9E0.7
DTYD-TYROSINEA,B,C,H,K,L2R5B0.7
DTYD-TYROSINEA2IH00.7
DTYD-TYROSINEA1D7T0.7
DTYD-TYROSINEA,B1XA00.7
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.7
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.7
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.7
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.7
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.72
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.74
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.78
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.76
LNRL-NOREPINEPHRINEA,B2QEO0.72
LNRL-NOREPINEPHRINEA3DYE0.72
LNRL-NOREPINEPHRINEA4PAH0.72
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.78
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.83
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.83
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.83
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.83
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.83
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.83
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.83
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.83
12M(2-ETHYLPHENYL)METHANOLA,B2F620.72
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.83
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.83
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.83
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.83
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.83
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.83
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.83
SS2(1R)-1-PHENYLETHANOLA1ZK00.75
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.75
SS2(1R)-1-PHENYLETHANOLA1ZJY0.75
SOAISATOIC ANHYDRIDEA1BIO0.7