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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022229

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.89
PSRTHIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER
A1L0I0.73
PSRTHIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER
A2KG90.73
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE
A2DC80.71
PNS4'-PHOSPHOPANTETHEINEA,B1QJC0.77
PNS4'-PHOSPHOPANTETHEINEA2FVA0.77
PNS4'-PHOSPHOPANTETHEINEA,B,C,D,E,F1VLH0.77
PNS4'-PHOSPHOPANTETHEINEA2KJS0.77
PNS4'-PHOSPHOPANTETHEINEA1OD60.77
PNS4'-PHOSPHOPANTETHEINEA,B3GZM0.77
PNS4'-PHOSPHOPANTETHEINEA2FQ20.77
PNS4'-PHOSPHOPANTETHEINEA2FVF0.77
PNS4'-PHOSPHOPANTETHEINEA,B1H1T0.77
PNS4'-PHOSPHOPANTETHEINEA2K0X0.77
PNS4'-PHOSPHOPANTETHEINEA2FQ00.77
PNS4'-PHOSPHOPANTETHEINEA3GZL0.77
PAZN-[(2R)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanine
A,B,C,D,E,F3BF30.9
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.91
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.81
PN2A,D,E,F1F800.71
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.73
THCN-METHYLCARBONYLTHREONINEB2HR00.73
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.73
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.73
PN5(3R)-3-hydroxy-2,2-dimethyl-4-oxo-
4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-
dimethylpropanoate
A,B2VU20.84
C6LN-hexanoyl-L-homoserineA3DHA0.72
C6LN-hexanoyl-L-homoserineA3DHB0.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.75
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.75
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.75
SXVN~3~-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-N-{2-
[(3-oxobutyl)sulfanyl]ethyl}-beta-
alaninamide
A2KGD0.72
SXATHIOACETIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER
A2KG60.74
PAUPANTOTHENOIC ACIDA,B2F9W1
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF11
PAUPANTOTHENOIC ACIDA,B,C,D1SQ51
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX1
SXM3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanyl}amino)ethyl]sulfanyl}-3-
oxopropanoic acid
A2KG80.74
GVLO-[(R)-{[(3R)-4-AMINO-3-HYDROXY-
2,2-DIMETHYL-4-OXOBUTYL]OXY}(HYDROXY)PHOSPHORYL]-
L-SERINE
A,B,C,G,H,I2UV80.7
PCO2,4-DIHYDROXY-N-[2-(2-MERCAPTO-
VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-
BUTYRAMIDE
A1MVN0.77