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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00829251

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9R0.8
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9U0.8
HTQHOMOTROPINEA,B,C2DQZ0.76
HTQHOMOTROPINEA,B,C,D,E,F1MX50.76
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
BS2(3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-
DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-
5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE
A,D,E2W8G0.71
412(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-
DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE
A1ZML0.7
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.72
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
B1HWR0.76
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1MU00.74
PHK(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-
BUTAN-2-OL
A1XRL0.74
SK3(1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-
1,2,3,4-TETROL
A2F7R0.71
GB2(2R,3R,4S)-2-({[(1S)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F1A0.77
GB3(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-
3,4-DIOL
A2F1B0.76
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.77
HPHPHENYLALANINDIOLI1E5O0.75
HPHPHENYLALANINDIOLA,B1ODX0.75
HPHPHENYLALANINDIOLA,B1MTB0.75
HPHPHENYLALANINDIOLA,B2FGV0.75
HPHPHENYLALANINDIOLA1ODW0.75
HPHPHENYLALANINDIOLA,B2FGU0.75
HPHPHENYLALANINDIOLA,B1HXB0.75
GB1(2R,3R,4S)-2-({[(1R)-2-HYDROXY-
1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-
3,4-DIOL
A2F180.77
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.71
DPKDEPRENYLA,B2BYB0.73
PHLL-PHENYLALANINOLA,B1JOH0.78
PHLL-PHENYLALANINOLI3APR0.78
PHLL-PHENYLALANINOLA1DLZ0.78
PHLL-PHENYLALANINOLA1IH90.78
PHLL-PHENYLALANINOLA1OB40.78
PHLL-PHENYLALANINOLI2ER60.78
PHLL-PHENYLALANINOLA1R9U0.78
PHLL-PHENYLALANINOLA1OB70.78
PHLL-PHENYLALANINOLA,B1OB60.78
PHLL-PHENYLALANINOLA,B,C1AMT0.78
TA2(2R,3S)-3-AMINO-3-PHENYLPROPANE-
1,2-DIOL
A,B2IFR0.75
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A1TH60.79
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A2ARM0.79
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.79
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.79
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.79
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.79
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.79
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.79
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.79
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.78
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.79
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.79
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.79
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.79
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.79
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.79
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.79
VBZ(1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-
2-aza-bicyclo[2.2.2]octane-4,7,8-
triol
A,B2VO50.73
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.71
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.72
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,F2W8F0.77
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.71