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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02340010

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SXVN~3~-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-N-{2-
[(3-oxobutyl)sulfanyl]ethyl}-beta-
alaninamide
A2KGD0.71
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.72
THCN-METHYLCARBONYLTHREONINEB2HR00.72
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.72
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.72
C6LN-hexanoyl-L-homoserineA3DHA0.71
C6LN-hexanoyl-L-homoserineA3DHB0.71
PN5(3R)-3-hydroxy-2,2-dimethyl-4-oxo-
4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-
dimethylpropanoate
A,B2VU20.85
PCO2,4-DIHYDROXY-N-[2-(2-MERCAPTO-
VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-
BUTYRAMIDE
A1MVN0.76
PSRTHIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER
A1L0I0.72
PSRTHIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER
A2KG90.72
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.93
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.8
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.74
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.74
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.74
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
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.9
PNS4'-PHOSPHOPANTETHEINEA,B1QJC0.76
PNS4'-PHOSPHOPANTETHEINEA2FVA0.76
PNS4'-PHOSPHOPANTETHEINEA,B,C,D,E,F1VLH0.76
PNS4'-PHOSPHOPANTETHEINEA2KJS0.76
PNS4'-PHOSPHOPANTETHEINEA1OD60.76
PNS4'-PHOSPHOPANTETHEINEA,B3GZM0.76
PNS4'-PHOSPHOPANTETHEINEA2FQ20.76
PNS4'-PHOSPHOPANTETHEINEA2FVF0.76
PNS4'-PHOSPHOPANTETHEINEA,B1H1T0.76
PNS4'-PHOSPHOPANTETHEINEA2K0X0.76
PNS4'-PHOSPHOPANTETHEINEA2FQ00.76
PNS4'-PHOSPHOPANTETHEINEA3GZL0.76
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE
A2DC80.72
PAZN-[(2R)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanine
A,B,C,D,E,F3BF30.89
SXM3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanyl}amino)ethyl]sulfanyl}-3-
oxopropanoic acid
A2KG80.73
SXATHIOACETIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER
A2KG60.73
PAUPANTOTHENOIC ACIDA,B2F9W0.98
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.98
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.98
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.98