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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03690079

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.71
OBZO-benzylhydroxylamineA,B3DTH0.71
OBZO-benzylhydroxylamineA,B3DTG0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.7
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.75
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.71
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.71
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.74
EPTHEPTANYL-P-PHENOLA,B1AHZ0.73
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3F2R0.72
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3G150.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.71
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.71
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.75
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.75
SS2(1R)-1-PHENYLETHANOLA1ZK00.82
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.82
SS2(1R)-1-PHENYLETHANOLA1ZJY0.82
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.77
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.72
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.75
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.75
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.76
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.71
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.71
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.73
BS1(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-
5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE
A,F2W8F0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.75
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9R0.75
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9U0.75
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.72
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.75
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.71
HTQHOMOTROPINEA,B,C2DQZ0.72
HTQHOMOTROPINEA,B,C,D,E,F1MX50.72
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.72
PEL2-PHENYL-ETHANOLA,B1I0D0.73
PEL2-PHENYL-ETHANOLD,H2I0T0.73
PEL2-PHENYL-ETHANOLA,B1HZY0.73
PEL2-PHENYL-ETHANOLA,B1I0B0.73
PEL2-PHENYL-ETHANOLA1EYW0.73
PEL2-PHENYL-ETHANOLA,B1JGM0.73
MNN(S)-MANDELIC ACID NITRILEA1YB60.78
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.76
PHLL-PHENYLALANINOLA,B1JOH0.72
PHLL-PHENYLALANINOLI3APR0.72
PHLL-PHENYLALANINOLA1DLZ0.72
PHLL-PHENYLALANINOLA1IH90.72
PHLL-PHENYLALANINOLA1OB40.72
PHLL-PHENYLALANINOLI2ER60.72
PHLL-PHENYLALANINOLA1R9U0.72
PHLL-PHENYLALANINOLA1OB70.72
PHLL-PHENYLALANINOLA,B1OB60.72
PHLL-PHENYLALANINOLA,B,C1AMT0.72
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.71
SS11-PHENYLETHANOLH1UM50.82
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE
A2F380.73
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.72
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.71
AEF4-(2-aminoethyl)phenolA3BRA0.72
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.73
12M(2-ETHYLPHENYL)METHANOLA,B2F620.78
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.72
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.72
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.75
341(3,5-difluorophenyl)methanolC3EON0.71
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.76
RSOR-STYRENE OXIDEA,B1PWZ0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.78