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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02812910

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DHD2,4-DIOXO-PENTANEDIOIC ACIDA,B,C,D1CS10.8
3HG3-HYDROXYPENTANEDIOIC ACIDA,B,C,D,E,F2CW60.72
SHO5-HYDROXYLAEVULINIC ACIDA1W310.72
LAF5-FLUOROLEVULINIC ACIDA,B1GZG0.76
AKG2-OXYGLUTARIC ACIDA,B,C,D1YBA0.82
AKG2-OXYGLUTARIC ACIDA1DS10.82
AKG2-OXYGLUTARIC ACIDA1H2L0.82
AKG2-OXYGLUTARIC ACIDA,B,C1NX80.82
AKG2-OXYGLUTARIC ACIDA,B3BUC0.82
AKG2-OXYGLUTARIC ACIDA2RDN0.82
AKG2-OXYGLUTARIC ACIDA,B3BIE0.82
AKG2-OXYGLUTARIC ACIDA,D1OIK0.82
AKG2-OXYGLUTARIC ACIDA,B,C,D3DC10.82
AKG2-OXYGLUTARIC ACIDA,B2FDF0.82
AKG2-OXYGLUTARIC ACIDA3D8C0.82
AKG2-OXYGLUTARIC ACIDA1DRY0.82
AKG2-OXYGLUTARIC ACIDA,B2FDH0.82
AKG2-OXYGLUTARIC ACIDA,B,C2J9E0.82
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F2QFY0.82
AKG2-OXYGLUTARIC ACIDA1UNB0.82
AKG2-OXYGLUTARIC ACIDA,B,C,D1OIJ0.82
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F2QFX0.82
AKG2-OXYGLUTARIC ACIDA,B1GQW0.82
AKG2-OXYGLUTARIC ACIDA,B3BKZ0.82
AKG2-OXYGLUTARIC ACIDA,B2GP50.82
AKG2-OXYGLUTARIC ACIDA,B3GJB0.82
AKG2-OXYGLUTARIC ACIDA1GP40.82
AKG2-OXYGLUTARIC ACIDA2RDQ0.82
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F1HWY0.82
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
2VDC0.82
AKG2-OXYGLUTARIC ACIDA,B3BU00.82
AKG2-OXYGLUTARIC ACIDA,B2FCT0.82
AKG2-OXYGLUTARIC ACIDA,B,F,G2Q8C0.82
AKG2-OXYGLUTARIC ACIDA,B1GY90.82
AKG2-OXYGLUTARIC ACIDA,B,C,D1OII0.82
AKG2-OXYGLUTARIC ACIDA2A1X0.82
AKG2-OXYGLUTARIC ACIDA1H2N0.82
AKG2-OXYGLUTARIC ACIDA,B,C1NX40.82
AKG2-OXYGLUTARIC ACIDA2BRT0.82
AKG2-OXYGLUTARIC ACIDA,B2FCV0.82
AKG2-OXYGLUTARIC ACIDA,B2FDI0.82
AKG2-OXYGLUTARIC ACIDA2YU10.82
AKG2-OXYGLUTARIC ACIDA,B2FDK0.82
AKG2-OXYGLUTARIC ACIDA1E5I0.82
AKG2-OXYGLUTARIC ACIDA1UOB0.82
AKG2-OXYGLUTARIC ACIDA,B1OFE0.82
AKG2-OXYGLUTARIC ACIDA2ILM0.82
AKG2-OXYGLUTARIC ACIDA,B2FCU0.82
AKG2-OXYGLUTARIC ACIDA,B1AIB0.82
AKG2-OXYGLUTARIC ACIDA1RXG0.82
AKG2-OXYGLUTARIC ACIDA1MZF0.82
AKG2-OXYGLUTARIC ACIDA,B1EA00.82
AKG2-OXYGLUTARIC ACIDA1DRT0.82
AKG2-OXYGLUTARIC ACIDA2IUW0.82
AKG2-OXYGLUTARIC ACIDA,B,C,D3BN10.82
AKG2-OXYGLUTARIC ACIDA,B2FD80.82
AKG2-OXYGLUTARIC ACIDA2JJH0.82
AKG2-OXYGLUTARIC ACIDA1IKA0.82
AKG2-OXYGLUTARIC ACIDA,B,C,D1OS70.82
AKG2-OXYGLUTARIC ACIDA1MDX0.82
AKG2-OXYGLUTARIC ACIDA,B1OFD0.82
AKG2-OXYGLUTARIC ACIDA2CJH0.82
AKG2-OXYGLUTARIC ACIDA1GP50.82
AKG2-OXYGLUTARIC ACIDA1CW40.82
AKG2-OXYGLUTARIC ACIDA,B3BI30.82
AKG2-OXYGLUTARIC ACIDA1BL50.82
AKG2-OXYGLUTARIC ACIDA1LLW0.82
AKG2-OXYGLUTARIC ACIDA2ZE30.82
AKG2-OXYGLUTARIC ACIDA1GVG0.82
HKV4,5-DIOXOPENTANOIC ACIDA2JB81
GUAGLUTARIC ACIDA,B1JW00.74
GUAGLUTARIC ACIDA,B,C,D1B4N0.74
GUAGLUTARIC ACIDA1AMS0.74
GUAGLUTARIC ACIDA,B1XEY0.74
GUAGLUTARIC ACIDA1CZC0.74
GUAGLUTARIC ACIDA,B,C1IYD0.74
DO42,5-DIOXOPENTANOIC ACIDX2Q1D0.92
SHFLAEVULINIC ACIDA1YLV0.76
SHFLAEVULINIC ACIDA1H7N0.76
GAQ5-HYDROXYPENTANALA,B1ZLP0.71