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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01084805

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
A2KGD0.76
PM8S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-
3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) DECANETHIOATE
A,B2FAE0.7
SXDN-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-
N~3~-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alaninamide
A2KGE0.72
SXHS-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanyl}amino)ethyl] hexanethioate
A2KGA0.72
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.74
PAUPANTOTHENOIC ACIDA,B2F9W0.8
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.8
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.8
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.8
PCO2,4-DIHYDROXY-N-[2-(2-MERCAPTO-
VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-
BUTYRAMIDE
A1MVN0.81
PM4S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-
3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE
A,B2FAC0.73
PSRTHIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER
A1L0I0.77
PSRTHIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER
A2KG90.77
PNS4'-PHOSPHOPANTETHEINEA,B1QJC0.81
PNS4'-PHOSPHOPANTETHEINEA2FVA0.81
PNS4'-PHOSPHOPANTETHEINEA,B,C,D,E,F1VLH0.81
PNS4'-PHOSPHOPANTETHEINEA2KJS0.81
PNS4'-PHOSPHOPANTETHEINEA1OD60.81
PNS4'-PHOSPHOPANTETHEINEA,B3GZM0.81
PNS4'-PHOSPHOPANTETHEINEA2FQ20.81
PNS4'-PHOSPHOPANTETHEINEA2FVF0.81
PNS4'-PHOSPHOPANTETHEINEA,B1H1T0.81
PNS4'-PHOSPHOPANTETHEINEA2K0X0.81
PNS4'-PHOSPHOPANTETHEINEA2FQ00.81
PNS4'-PHOSPHOPANTETHEINEA3GZL0.81
ZMP({(3S)-3-hydroxy-2,2-dimethyl-4-
oxo-4-[(3-oxo-3-{[2-(tetradecanoylsulfanyl)ethyl]amino}propyl)amino]butyl}oxy)(oxo)phosphoniumolate
A,B,C,D,E,F,
G,H
3EJB0.7
SXM3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanyl}amino)ethyl]sulfanyl}-3-
oxopropanoic acid
A2KG80.72
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.76
PN5(3R)-3-hydroxy-2,2-dimethyl-4-oxo-
4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-
dimethylpropanoate
A,B2VU20.81
PAZN-[(2R)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanine
A,B,C,D,E,F3BF30.73
SXATHIOACETIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER
A2KG60.78
PN2A,D,E,F1F800.74
PM5S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-
3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE
A,B2FAD0.71