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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03078437

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,D1OU60.75
PN2A,D,E,F1F800.87
SXATHIOACETIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER		A2KG60.87
SXM3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanyl}amino)ethyl]sulfanyl}-3-
oxopropanoic acid		A2KG80.87
PM8S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-
3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) DECANETHIOATE		A,B2FAE0.77
PM5S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-
3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEPTANETHIOATE		A,B2FAD0.78
PSRTHIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER		A1L0I0.86
PSRTHIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-
3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-
PROPIONYLAMINO]-ETHYL} ESTER		A2KG90.86
PAUPANTOTHENOIC ACIDA,B2F9W0.76
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.76
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.76
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.76
PN5(3R)-3-hydroxy-2,2-dimethyl-4-oxo-
4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-
dimethylpropanoate		A,B2VU20.84
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.76
PAZN-[(2R)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanine		A,B,C,D,E,F3BF30.84
PM4S-(2-{[N-(2-HYDROXY-4-{[HYDROXY(OXIDO)PHOSPHINO]OXY}-
3,3-DIMETHYLBUTANOYL)-BETA-ALANYL]AMINO}ETHYL) HEXANETHIOATE		A,B2FAC0.79
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		3EJB0.77
SXOS-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanyl}amino)ethyl] octanethioate		A2KGC0.78
PNS4'-PHOSPHOPANTETHEINEA,B1QJC0.9
PNS4'-PHOSPHOPANTETHEINEA2FVA0.9
PNS4'-PHOSPHOPANTETHEINEA,B,C,D,E,F1VLH0.9
PNS4'-PHOSPHOPANTETHEINEA2KJS0.9
PNS4'-PHOSPHOPANTETHEINEA1OD60.9
PNS4'-PHOSPHOPANTETHEINEA,B3GZM0.9
PNS4'-PHOSPHOPANTETHEINEA2FQ20.9
PNS4'-PHOSPHOPANTETHEINEA2FVF0.9
PNS4'-PHOSPHOPANTETHEINEA,B1H1T0.9
PNS4'-PHOSPHOPANTETHEINEA2K0X0.9
PNS4'-PHOSPHOPANTETHEINEA2FQ00.9
PNS4'-PHOSPHOPANTETHEINEA3GZL0.9
TP7PHOSPHORIC ACID N-(1-HYDROXY-7-
MERCAPTO-HEPTYL)THREONINE ESTER		A,B,C,D,E,F1HBN0.72
TP7PHOSPHORIC ACID N-(1-HYDROXY-7-
MERCAPTO-HEPTYL)THREONINE ESTER		A,B,C,D,E,F1HBU0.72
TP7PHOSPHORIC ACID N-(1-HYDROXY-7-
MERCAPTO-HEPTYL)THREONINE ESTER		A,C,D,F1E6Y0.72
TP7PHOSPHORIC ACID N-(1-HYDROXY-7-
MERCAPTO-HEPTYL)THREONINE ESTER		A,D1E6V0.72
TP7PHOSPHORIC ACID N-(1-HYDROXY-7-
MERCAPTO-HEPTYL)THREONINE ESTER		A,C,D,F1MRO0.72
TP7PHOSPHORIC ACID N-(1-HYDROXY-7-
MERCAPTO-HEPTYL)THREONINE ESTER		A,B,C,D,E,F1HBO0.72
SXVN~3~-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-N-{2-
[(3-oxobutyl)sulfanyl]ethyl}-beta-
alaninamide		A2KGD0.85
PCO2,4-DIHYDROXY-N-[2-(2-MERCAPTO-
VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-
BUTYRAMIDE		A1MVN0.77
GVLO-[(R)-{[(3R)-4-AMINO-3-HYDROXY-
2,2-DIMETHYL-4-OXOBUTYL]OXY}(HYDROXY)PHOSPHORYL]-
L-SERINE		A,B,C,G,H,I2UV80.77
SXDN-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-
N~3~-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alaninamide		A2KGE0.8
SXHS-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanyl}amino)ethyl] hexanethioate		A2KGA0.8