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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03697299

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.78
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.78
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.78
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.78
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.78
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.78
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.78
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.7
HPHPHENYLALANINDIOLI1E5O0.72
HPHPHENYLALANINDIOLA,B1ODX0.72
HPHPHENYLALANINDIOLA,B1MTB0.72
HPHPHENYLALANINDIOLA,B2FGV0.72
HPHPHENYLALANINDIOLA1ODW0.72
HPHPHENYLALANINDIOLA,B2FGU0.72
HPHPHENYLALANINDIOLA,B1HXB0.72
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.73
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
341(3,5-difluorophenyl)methanolC3EON0.73
RSOR-STYRENE OXIDEA,B1PWZ0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.74
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A1TH60.7
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A2ARM0.7
12M(2-ETHYLPHENYL)METHANOLA,B2F620.8
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.81
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.72
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.78
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.78
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.78
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.78
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.78
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.78
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.78
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.78
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.78
SS11-PHENYLETHANOLH1UM50.84
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.73
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.73
DPKDEPRENYLA,B2BYB0.71
ALEL-EPINEPHRINEA3PAH0.72
ALEL-EPINEPHRINEA2HKK0.72
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3F2R0.73
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3G150.73
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.75
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.81
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.72
PEL2-PHENYL-ETHANOLA,B1I0D0.76
PEL2-PHENYL-ETHANOLD,H2I0T0.76
PEL2-PHENYL-ETHANOLA,B1HZY0.76
PEL2-PHENYL-ETHANOLA,B1I0B0.76
PEL2-PHENYL-ETHANOLA1EYW0.76
PEL2-PHENYL-ETHANOLA,B1JGM0.76
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.78
RMN(R)-MANDELIC ACIDA1MDL0.71
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.71
SOAISATOIC ANHYDRIDEA1BIO0.71
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.72
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.75
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.74
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.75
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,F2W8F0.75
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.71
AEF4-(2-aminoethyl)phenolA3BRA0.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.71
4BZ4-(HYDROXYMETHYL)BENZAMIDINEA1S6H0.71
ETY4-ethylphenolA,B,C,D2RA60.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.74
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.74
SMN(S)-MANDELIC ACIDA1MDL0.71
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.7
216[4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO-
5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7-
BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE
B1HWR0.7
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.76
OBZO-benzylhydroxylamineA,B3DTH0.73
OBZO-benzylhydroxylamineA,B3DTG0.73
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE
A2F380.75
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
HTQHOMOTROPINEA,B,C2DQZ0.75
HTQHOMOTROPINEA,B,C,D,E,F1MX50.75
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.73
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.76
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.74
SS2(1R)-1-PHENYLETHANOLA1ZK00.84
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.84
SS2(1R)-1-PHENYLETHANOLA1ZJY0.84
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.77
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.77
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.76
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.76
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.76
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.74
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.7
LNRL-NOREPINEPHRINEA,B2QEO0.7
LNRL-NOREPINEPHRINEA3DYE0.7
LNRL-NOREPINEPHRINEA4PAH0.7
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.75
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.75
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9R0.77
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9U0.77
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.77
2LP2-ALLYLPHENOLA1OV50.72
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.78
PHLL-PHENYLALANINOLA,B1JOH0.74
PHLL-PHENYLALANINOLI3APR0.74
PHLL-PHENYLALANINOLA1DLZ0.74
PHLL-PHENYLALANINOLA1IH90.74
PHLL-PHENYLALANINOLA1OB40.74
PHLL-PHENYLALANINOLI2ER60.74
PHLL-PHENYLALANINOLA1R9U0.74
PHLL-PHENYLALANINOLA1OB70.74
PHLL-PHENYLALANINOLA,B1OB60.74
PHLL-PHENYLALANINOLA,B,C1AMT0.74