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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02900301

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.81
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.8
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.71
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.71
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.71
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.71
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.71
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.71
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.71
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.71
OBZO-benzylhydroxylamineA,B3DTH0.71
OBZO-benzylhydroxylamineA,B3DTG0.71
PHLL-PHENYLALANINOLA,B1JOH0.81
PHLL-PHENYLALANINOLI3APR0.81
PHLL-PHENYLALANINOLA1DLZ0.81
PHLL-PHENYLALANINOLA1IH90.81
PHLL-PHENYLALANINOLA1OB40.81
PHLL-PHENYLALANINOLI2ER60.81
PHLL-PHENYLALANINOLA1R9U0.81
PHLL-PHENYLALANINOLA1OB70.81
PHLL-PHENYLALANINOLA,B1OB60.81
PHLL-PHENYLALANINOLA,B,C1AMT0.81
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.76
2NAnaphthalen-2-ylmethanolA,B,C3EE50.72
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.71
DTYD-TYROSINEA1C4B0.71
DTYD-TYROSINEA,L1ZEA0.71
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.71
DTYD-TYROSINEA,B1UNO0.71
DTYD-TYROSINEA2IGZ0.71
DTYD-TYROSINEA,B,C,H,K,L2R5D0.71
DTYD-TYROSINEA,B2Q330.71
DTYD-TYROSINEH,S2H9E0.71
DTYD-TYROSINEA,B,C,H,K,L2R5B0.71
DTYD-TYROSINEA2IH00.71
DTYD-TYROSINEA1D7T0.71
DTYD-TYROSINEA,B1XA00.71
SS11-PHENYLETHANOLH1UM50.78
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.71
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.86
341(3,5-difluorophenyl)methanolC3EON0.75
ALEL-EPINEPHRINEA3PAH0.73
ALEL-EPINEPHRINEA2HKK0.73
HPHPHENYLALANINDIOLI1E5O0.78
HPHPHENYLALANINDIOLA,B1ODX0.78
HPHPHENYLALANINDIOLA,B1MTB0.78
HPHPHENYLALANINDIOLA,B2FGV0.78
HPHPHENYLALANINDIOLA1ODW0.78
HPHPHENYLALANINDIOLA,B2FGU0.78
HPHPHENYLALANINDIOLA,B1HXB0.78
AEF4-(2-aminoethyl)phenolA3BRA0.79
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.76
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.76
LDPL-DOPAMINEA,B2A3R0.75
LDPL-DOPAMINEA5PAH0.75
LDPL-DOPAMINEA,B2QMZ0.75
LDPL-DOPAMINEA,B2VQ50.75
YOF3-FLUOROTYROSINEA,B1XIL0.72
YOF3-FLUOROTYROSINEA,B1XDC0.72
YOF3-FLUOROTYROSINEA1RRX0.72
YOF3-FLUOROTYROSINEA,B3FYG0.72
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.72
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.71
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.77
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.77
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.72
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.86
4PH4-methyl-L-phenylalanineB,C3BV90.71
MNN(S)-MANDELIC ACID NITRILEA1YB60.77
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.74
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.76
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.82
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.82
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.82
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.75
BAD(1S)-2-amino-1-phenylethyl 6-O-
beta-L-glucopyranosyl-alpha-D-mannopyranoside
A2QJE0.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.78
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.78
SS2(1R)-1-PHENYLETHANOLA1ZJY0.78
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.78
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.74
SOAISATOIC ANHYDRIDEA1BIO0.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.82
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.82
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.82
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.82
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.82
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.77
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.79
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.78
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.76
PEL2-PHENYL-ETHANOLA,B1I0D0.72
PEL2-PHENYL-ETHANOLD,H2I0T0.72
PEL2-PHENYL-ETHANOLA,B1HZY0.72
PEL2-PHENYL-ETHANOLA,B1I0B0.72
PEL2-PHENYL-ETHANOLA1EYW0.72
PEL2-PHENYL-ETHANOLA,B1JGM0.72
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.71
LNRL-NOREPINEPHRINEA,B2QEO0.77
LNRL-NOREPINEPHRINEA3DYE0.77
LNRL-NOREPINEPHRINEA4PAH0.77
MTYMETA-TYROSINEA2TOH0.71
MTYMETA-TYROSINEA,B1BIQ0.71
MTYMETA-TYROSINEA1Q7O0.71
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
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
TYBTYROSINALA,B1KDZ0.73
TYBTYROSINALA1Q110.73
TYBTYROSINALA,B2J5B0.73
TYBTYROSINALA,I1GA40.73
TYBTYROSINALA,B,C1NLU0.73
TYBTYROSINALA,B1KE10.73
TYBTYROSINALA,B1H3F0.73
TYBTYROSINALA,B1H3E0.73
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.71
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
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.73
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.73
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.73
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.79