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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02028271

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OXS2-OXALOSUCCINIC ACIDA1IDC0.71
LAF5-FLUOROLEVULINIC ACIDA,B1GZG0.81
DHD2,4-DIOXO-PENTANEDIOIC ACIDA,B,C,D1CS10.71
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1KTA0.71
KIV3-METHYL-2-OXOBUTANOIC ACIDA1HJG0.71
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B1SR90.71
KIV3-METHYL-2-OXOBUTANOIC ACIDA,B,C,D,E1O680.71
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.77
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.77
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.77
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.77
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.77
4MV4-METHYL VALERIC ACIDA,B,C1I1M0.76
4MV4-METHYL VALERIC ACIDA,B,C2EIY0.76
4MV4-METHYL VALERIC ACIDA2ECO0.76
4MV4-METHYL VALERIC ACIDA,C,D1UMC0.76
4MV4-METHYL VALERIC ACIDA,B2COG0.76
SHFLAEVULINIC ACIDA1YLV0.81
SHFLAEVULINIC ACIDA1H7N0.81
HKV4,5-DIOXOPENTANOIC ACIDA2JB80.71
AKG2-OXYGLUTARIC ACIDA,B,C,D1YBA0.73
AKG2-OXYGLUTARIC ACIDA1DS10.73
AKG2-OXYGLUTARIC ACIDA1H2L0.73
AKG2-OXYGLUTARIC ACIDA,B,C1NX80.73
AKG2-OXYGLUTARIC ACIDA,B3BUC0.73
AKG2-OXYGLUTARIC ACIDA2RDN0.73
AKG2-OXYGLUTARIC ACIDA,B3BIE0.73
AKG2-OXYGLUTARIC ACIDA,D1OIK0.73
AKG2-OXYGLUTARIC ACIDA,B,C,D3DC10.73
AKG2-OXYGLUTARIC ACIDA,B2FDF0.73
AKG2-OXYGLUTARIC ACIDA3D8C0.73
AKG2-OXYGLUTARIC ACIDA1DRY0.73
AKG2-OXYGLUTARIC ACIDA,B2FDH0.73
AKG2-OXYGLUTARIC ACIDA,B,C2J9E0.73
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F2QFY0.73
AKG2-OXYGLUTARIC ACIDA1UNB0.73
AKG2-OXYGLUTARIC ACIDA,B,C,D1OIJ0.73
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F2QFX0.73
AKG2-OXYGLUTARIC ACIDA,B1GQW0.73
AKG2-OXYGLUTARIC ACIDA,B3BKZ0.73
AKG2-OXYGLUTARIC ACIDA,B2GP50.73
AKG2-OXYGLUTARIC ACIDA,B3GJB0.73
AKG2-OXYGLUTARIC ACIDA1GP40.73
AKG2-OXYGLUTARIC ACIDA2RDQ0.73
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F1HWY0.73
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
2VDC0.73
AKG2-OXYGLUTARIC ACIDA,B3BU00.73
AKG2-OXYGLUTARIC ACIDA,B2FCT0.73
AKG2-OXYGLUTARIC ACIDA,B,F,G2Q8C0.73
AKG2-OXYGLUTARIC ACIDA,B1GY90.73
AKG2-OXYGLUTARIC ACIDA,B,C,D1OII0.73
AKG2-OXYGLUTARIC ACIDA2A1X0.73
AKG2-OXYGLUTARIC ACIDA1H2N0.73
AKG2-OXYGLUTARIC ACIDA,B,C1NX40.73
AKG2-OXYGLUTARIC ACIDA2BRT0.73
AKG2-OXYGLUTARIC ACIDA,B2FCV0.73
AKG2-OXYGLUTARIC ACIDA,B2FDI0.73
AKG2-OXYGLUTARIC ACIDA2YU10.73
AKG2-OXYGLUTARIC ACIDA,B2FDK0.73
AKG2-OXYGLUTARIC ACIDA1E5I0.73
AKG2-OXYGLUTARIC ACIDA1UOB0.73
AKG2-OXYGLUTARIC ACIDA,B1OFE0.73
AKG2-OXYGLUTARIC ACIDA2ILM0.73
AKG2-OXYGLUTARIC ACIDA,B2FCU0.73
AKG2-OXYGLUTARIC ACIDA,B1AIB0.73
AKG2-OXYGLUTARIC ACIDA1RXG0.73
AKG2-OXYGLUTARIC ACIDA1MZF0.73
AKG2-OXYGLUTARIC ACIDA,B1EA00.73
AKG2-OXYGLUTARIC ACIDA1DRT0.73
AKG2-OXYGLUTARIC ACIDA2IUW0.73
AKG2-OXYGLUTARIC ACIDA,B,C,D3BN10.73
AKG2-OXYGLUTARIC ACIDA,B2FD80.73
AKG2-OXYGLUTARIC ACIDA2JJH0.73
AKG2-OXYGLUTARIC ACIDA1IKA0.73
AKG2-OXYGLUTARIC ACIDA,B,C,D1OS70.73
AKG2-OXYGLUTARIC ACIDA1MDX0.73
AKG2-OXYGLUTARIC ACIDA,B1OFD0.73
AKG2-OXYGLUTARIC ACIDA2CJH0.73
AKG2-OXYGLUTARIC ACIDA1GP50.73
AKG2-OXYGLUTARIC ACIDA1CW40.73
AKG2-OXYGLUTARIC ACIDA,B3BI30.73
AKG2-OXYGLUTARIC ACIDA1BL50.73
AKG2-OXYGLUTARIC ACIDA1LLW0.73
AKG2-OXYGLUTARIC ACIDA2ZE30.73
AKG2-OXYGLUTARIC ACIDA1GVG0.73
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.71
TRCTRICARBALLYLIC ACIDA6ACN0.73
TRCTRICARBALLYLIC ACIDA,B2PW00.73
TRCTRICARBALLYLIC ACIDA5ACN0.73