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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03505749

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XDLXYLOSE-DERIVED ISOFAGOMINE LACTAMA1OD80.72
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.86
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.84
SXM3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanyl}amino)ethyl]sulfanyl}-3-
oxopropanoic acid
A2KG80.71
ATIN-(3-AMINO-2-HYDROXY-5-METHYLHEXANOYL)VALYLVALYLASPARTIC ACIDA1Y0Y0.72
SXATHIOACETIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER
A2KG60.71
PNS4'-PHOSPHOPANTETHEINEA,B1QJC0.73
PNS4'-PHOSPHOPANTETHEINEA2FVA0.73
PNS4'-PHOSPHOPANTETHEINEA,B,C,D,E,F1VLH0.73
PNS4'-PHOSPHOPANTETHEINEA2KJS0.73
PNS4'-PHOSPHOPANTETHEINEA1OD60.73
PNS4'-PHOSPHOPANTETHEINEA,B3GZM0.73
PNS4'-PHOSPHOPANTETHEINEA2FQ20.73
PNS4'-PHOSPHOPANTETHEINEA2FVF0.73
PNS4'-PHOSPHOPANTETHEINEA,B1H1T0.73
PNS4'-PHOSPHOPANTETHEINEA2K0X0.73
PNS4'-PHOSPHOPANTETHEINEA2FQ00.73
PNS4'-PHOSPHOPANTETHEINEA3GZL0.73
PAUPANTOTHENOIC ACIDA,B2F9W0.94
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.94
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.94
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.94
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.73
PCO2,4-DIHYDROXY-N-[2-(2-MERCAPTO-
VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-
BUTYRAMIDE
A1MVN0.73
UDC(2S,3S)-2-((2S,3R,4S,5R)-5-ETHANAMIDO-
3-HYDROXY-2-(HYDROXYMETHYL)TETRAHYDRO-
2H-PYRAN-4-YLOXY)-3,4-DIHYDROXY-
2-METHYLBUTANOIC ACID
A,B,C,D2Z2C0.7
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.77
76VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ISOLEUCINE
A2DCB0.71
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1AEC0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B2PRE0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1CV80.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A3C9E0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B3BCN0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1ATK0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D3BPF0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1TLO0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1QX60.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A1MEG0.7
E64N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
BUTYL]-GUANIDINE
A,B,C,D2BDZ0.7
PAZN-[(2R)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanine
A,B,C,D,E,F3BF30.85
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE
A2DC70.7
PN5(3R)-3-hydroxy-2,2-dimethyl-4-oxo-
4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-
dimethylpropanoate
A,B2VU20.8
C6LN-hexanoyl-L-homoserineA3DHA0.75
C6LN-hexanoyl-L-homoserineA3DHB0.75
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE
A2DC80.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.78
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.78
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.78