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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008046

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LEALEVULINIC ACIDP1VWR0.74
LEALEVULINIC ACIDM,P1VWJ0.74
LEALEVULINIC ACIDA,B1W1Z0.74
LEALEVULINIC ACIDA,B1B4K0.74
LEALEVULINIC ACIDM,P1VWK0.74
LEALEVULINIC ACIDP1VWQ0.74
LEALEVULINIC ACIDA1UK80.74
LEALEVULINIC ACIDM,P1VWL0.74
LEALEVULINIC ACIDM,P1VWI0.74
LEALEVULINIC ACIDA1B4E0.74
HKV4,5-DIOXOPENTANOIC ACIDA2JB80.7
LAF5-FLUOROLEVULINIC ACIDA,B1GZG0.81
AKG2-OXYGLUTARIC ACIDA,B,C,D1YBA0.72
AKG2-OXYGLUTARIC ACIDA1DS10.72
AKG2-OXYGLUTARIC ACIDA1H2L0.72
AKG2-OXYGLUTARIC ACIDA,B,C1NX80.72
AKG2-OXYGLUTARIC ACIDA,B3BUC0.72
AKG2-OXYGLUTARIC ACIDA2RDN0.72
AKG2-OXYGLUTARIC ACIDA,B3BIE0.72
AKG2-OXYGLUTARIC ACIDA,D1OIK0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D3DC10.72
AKG2-OXYGLUTARIC ACIDA,B2FDF0.72
AKG2-OXYGLUTARIC ACIDA3D8C0.72
AKG2-OXYGLUTARIC ACIDA1DRY0.72
AKG2-OXYGLUTARIC ACIDA,B2FDH0.72
AKG2-OXYGLUTARIC ACIDA,B,C2J9E0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F2QFY0.72
AKG2-OXYGLUTARIC ACIDA1UNB0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D1OIJ0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F2QFX0.72
AKG2-OXYGLUTARIC ACIDA,B1GQW0.72
AKG2-OXYGLUTARIC ACIDA,B3BKZ0.72
AKG2-OXYGLUTARIC ACIDA,B2GP50.72
AKG2-OXYGLUTARIC ACIDA,B3GJB0.72
AKG2-OXYGLUTARIC ACIDA1GP40.72
AKG2-OXYGLUTARIC ACIDA2RDQ0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F1HWY0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
2VDC0.72
AKG2-OXYGLUTARIC ACIDA,B3BU00.72
AKG2-OXYGLUTARIC ACIDA,B2FCT0.72
AKG2-OXYGLUTARIC ACIDA,B,F,G2Q8C0.72
AKG2-OXYGLUTARIC ACIDA,B1GY90.72
AKG2-OXYGLUTARIC ACIDA,B,C,D1OII0.72
AKG2-OXYGLUTARIC ACIDA2A1X0.72
AKG2-OXYGLUTARIC ACIDA1H2N0.72
AKG2-OXYGLUTARIC ACIDA,B,C1NX40.72
AKG2-OXYGLUTARIC ACIDA2BRT0.72
AKG2-OXYGLUTARIC ACIDA,B2FCV0.72
AKG2-OXYGLUTARIC ACIDA,B2FDI0.72
AKG2-OXYGLUTARIC ACIDA2YU10.72
AKG2-OXYGLUTARIC ACIDA,B2FDK0.72
AKG2-OXYGLUTARIC ACIDA1E5I0.72
AKG2-OXYGLUTARIC ACIDA1UOB0.72
AKG2-OXYGLUTARIC ACIDA,B1OFE0.72
AKG2-OXYGLUTARIC ACIDA2ILM0.72
AKG2-OXYGLUTARIC ACIDA,B2FCU0.72
AKG2-OXYGLUTARIC ACIDA,B1AIB0.72
AKG2-OXYGLUTARIC ACIDA1RXG0.72
AKG2-OXYGLUTARIC ACIDA1MZF0.72
AKG2-OXYGLUTARIC ACIDA,B1EA00.72
AKG2-OXYGLUTARIC ACIDA1DRT0.72
AKG2-OXYGLUTARIC ACIDA2IUW0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D3BN10.72
AKG2-OXYGLUTARIC ACIDA,B2FD80.72
AKG2-OXYGLUTARIC ACIDA2JJH0.72
AKG2-OXYGLUTARIC ACIDA1IKA0.72
AKG2-OXYGLUTARIC ACIDA,B,C,D1OS70.72
AKG2-OXYGLUTARIC ACIDA1MDX0.72
AKG2-OXYGLUTARIC ACIDA,B1OFD0.72
AKG2-OXYGLUTARIC ACIDA2CJH0.72
AKG2-OXYGLUTARIC ACIDA1GP50.72
AKG2-OXYGLUTARIC ACIDA1CW40.72
AKG2-OXYGLUTARIC ACIDA,B3BI30.72
AKG2-OXYGLUTARIC ACIDA1BL50.72
AKG2-OXYGLUTARIC ACIDA1LLW0.72
AKG2-OXYGLUTARIC ACIDA2ZE30.72
AKG2-OXYGLUTARIC ACIDA1GVG0.72
SHFLAEVULINIC ACIDA1YLV0.87
SHFLAEVULINIC ACIDA1H7N0.87
DHD2,4-DIOXO-PENTANEDIOIC ACIDA,B,C,D1CS10.7