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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02823695

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.75
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.73
SS2(1R)-1-PHENYLETHANOLA1ZK00.79
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.79
SS2(1R)-1-PHENYLETHANOLA1ZJY0.79
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3F2R0.7
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3G150.7
HTQHOMOTROPINEA,B,C2DQZ0.71
HTQHOMOTROPINEA,B,C,D,E,F1MX50.71
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.73
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.73
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.75
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.7
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.7
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.72
MNN(S)-MANDELIC ACID NITRILEA1YB60.76
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.71
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
B1HWR0.71
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.74
HPHPHENYLALANINDIOLI1E5O0.74
HPHPHENYLALANINDIOLA,B1ODX0.74
HPHPHENYLALANINDIOLA,B1MTB0.74
HPHPHENYLALANINDIOLA,B2FGV0.74
HPHPHENYLALANINDIOLA1ODW0.74
HPHPHENYLALANINDIOLA,B2FGU0.74
HPHPHENYLALANINDIOLA,B1HXB0.74
RSOR-STYRENE OXIDEA,B1PWZ0.72
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.7
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.7
ALEL-EPINEPHRINEA3PAH0.72
ALEL-EPINEPHRINEA2HKK0.72
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,F2W8F0.71
12M(2-ETHYLPHENYL)METHANOLA,B2F620.76
PEL2-PHENYL-ETHANOLA,B1I0D0.71
PEL2-PHENYL-ETHANOLD,H2I0T0.71
PEL2-PHENYL-ETHANOLA,B1HZY0.71
PEL2-PHENYL-ETHANOLA,B1I0B0.71
PEL2-PHENYL-ETHANOLA1EYW0.71
PEL2-PHENYL-ETHANOLA,B1JGM0.71
SOAISATOIC ANHYDRIDEA1BIO0.71
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.76
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.74
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9R0.73
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9U0.73
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.75
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.73
SS11-PHENYLETHANOLH1UM50.79
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.74
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.71
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.77
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.8
PHLL-PHENYLALANINOLA,B1JOH0.77
PHLL-PHENYLALANINOLI3APR0.77
PHLL-PHENYLALANINOLA1DLZ0.77
PHLL-PHENYLALANINOLA1IH90.77
PHLL-PHENYLALANINOLA1OB40.77
PHLL-PHENYLALANINOLI2ER60.77
PHLL-PHENYLALANINOLA1R9U0.77
PHLL-PHENYLALANINOLA1OB70.77
PHLL-PHENYLALANINOLA,B1OB60.77
PHLL-PHENYLALANINOLA,B,C1AMT0.77
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
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.7
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.7
AEF4-(2-aminoethyl)phenolA3BRA0.72
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.77
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.77
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.77
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.71
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.8
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
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.73