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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813670

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
KPA2-OXO-5-PHOSPHONOPENTANOIC ACIDA1VB30.7
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.71
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.71
SHFLAEVULINIC ACIDA1YLV0.7
SHFLAEVULINIC ACIDA1H7N0.7
SHVHEPTANOIC ACIDA1PO80.71
COI2-OXO-4-METHYLPENTANOIC ACIDA,B1QS00.71
COI2-OXO-4-METHYLPENTANOIC ACIDA,C1UMD0.71
COI2-OXO-4-METHYLPENTANOIC ACIDA1DXY0.71
COI2-OXO-4-METHYLPENTANOIC ACIDA,B2HDK0.71
COI2-OXO-4-METHYLPENTANOIC ACIDA1HJF0.71
4OX4-OXODECANEDIOIC ACIDA,B1L6Y0.71
4OX4-OXODECANEDIOIC ACIDA1GJP0.71
AKG2-OXYGLUTARIC ACIDA,B,C,D1YBA0.8
AKG2-OXYGLUTARIC ACIDA1DS10.8
AKG2-OXYGLUTARIC ACIDA1H2L0.8
AKG2-OXYGLUTARIC ACIDA,B,C1NX80.8
AKG2-OXYGLUTARIC ACIDA,B3BUC0.8
AKG2-OXYGLUTARIC ACIDA2RDN0.8
AKG2-OXYGLUTARIC ACIDA,B3BIE0.8
AKG2-OXYGLUTARIC ACIDA,D1OIK0.8
AKG2-OXYGLUTARIC ACIDA,B,C,D3DC10.8
AKG2-OXYGLUTARIC ACIDA,B2FDF0.8
AKG2-OXYGLUTARIC ACIDA3D8C0.8
AKG2-OXYGLUTARIC ACIDA1DRY0.8
AKG2-OXYGLUTARIC ACIDA,B2FDH0.8
AKG2-OXYGLUTARIC ACIDA,B,C2J9E0.8
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F2QFY0.8
AKG2-OXYGLUTARIC ACIDA1UNB0.8
AKG2-OXYGLUTARIC ACIDA,B,C,D1OIJ0.8
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F2QFX0.8
AKG2-OXYGLUTARIC ACIDA,B1GQW0.8
AKG2-OXYGLUTARIC ACIDA,B3BKZ0.8
AKG2-OXYGLUTARIC ACIDA,B2GP50.8
AKG2-OXYGLUTARIC ACIDA,B3GJB0.8
AKG2-OXYGLUTARIC ACIDA1GP40.8
AKG2-OXYGLUTARIC ACIDA2RDQ0.8
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F1HWY0.8
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
2VDC0.8
AKG2-OXYGLUTARIC ACIDA,B3BU00.8
AKG2-OXYGLUTARIC ACIDA,B2FCT0.8
AKG2-OXYGLUTARIC ACIDA,B,F,G2Q8C0.8
AKG2-OXYGLUTARIC ACIDA,B1GY90.8
AKG2-OXYGLUTARIC ACIDA,B,C,D1OII0.8
AKG2-OXYGLUTARIC ACIDA2A1X0.8
AKG2-OXYGLUTARIC ACIDA1H2N0.8
AKG2-OXYGLUTARIC ACIDA,B,C1NX40.8
AKG2-OXYGLUTARIC ACIDA2BRT0.8
AKG2-OXYGLUTARIC ACIDA,B2FCV0.8
AKG2-OXYGLUTARIC ACIDA,B2FDI0.8
AKG2-OXYGLUTARIC ACIDA2YU10.8
AKG2-OXYGLUTARIC ACIDA,B2FDK0.8
AKG2-OXYGLUTARIC ACIDA1E5I0.8
AKG2-OXYGLUTARIC ACIDA1UOB0.8
AKG2-OXYGLUTARIC ACIDA,B1OFE0.8
AKG2-OXYGLUTARIC ACIDA2ILM0.8
AKG2-OXYGLUTARIC ACIDA,B2FCU0.8
AKG2-OXYGLUTARIC ACIDA,B1AIB0.8
AKG2-OXYGLUTARIC ACIDA1RXG0.8
AKG2-OXYGLUTARIC ACIDA1MZF0.8
AKG2-OXYGLUTARIC ACIDA,B1EA00.8
AKG2-OXYGLUTARIC ACIDA1DRT0.8
AKG2-OXYGLUTARIC ACIDA2IUW0.8
AKG2-OXYGLUTARIC ACIDA,B,C,D3BN10.8
AKG2-OXYGLUTARIC ACIDA,B2FD80.8
AKG2-OXYGLUTARIC ACIDA2JJH0.8
AKG2-OXYGLUTARIC ACIDA1IKA0.8
AKG2-OXYGLUTARIC ACIDA,B,C,D1OS70.8
AKG2-OXYGLUTARIC ACIDA1MDX0.8
AKG2-OXYGLUTARIC ACIDA,B1OFD0.8
AKG2-OXYGLUTARIC ACIDA2CJH0.8
AKG2-OXYGLUTARIC ACIDA1GP50.8
AKG2-OXYGLUTARIC ACIDA1CW40.8
AKG2-OXYGLUTARIC ACIDA,B3BI30.8
AKG2-OXYGLUTARIC ACIDA1BL50.8
AKG2-OXYGLUTARIC ACIDA1LLW0.8
AKG2-OXYGLUTARIC ACIDA2ZE30.8
AKG2-OXYGLUTARIC ACIDA1GVG0.8
6NAHEXANOIC ACIDA,B2IX40.76
6NAHEXANOIC ACIDA,B2IWZ0.76
6NAHEXANOIC ACIDA2IQ00.76
DO42,5-DIOXOPENTANOIC ACIDX2Q1D0.76
4AT5-OXOHEXANOIC ACIDA,B2EFY0.89
GUAGLUTARIC ACIDA,B1JW00.76
GUAGLUTARIC ACIDA,B,C,D1B4N0.76
GUAGLUTARIC ACIDA1AMS0.76
GUAGLUTARIC ACIDA,B1XEY0.76
GUAGLUTARIC ACIDA1CZC0.76
GUAGLUTARIC ACIDA,B,C1IYD0.76
SHU4,6-DIOXOHEPTANOIC ACIDA1H7R0.73
DSB4,7-DIOXOSEBACIC ACIDA,B1I8J0.73
DSB4,7-DIOXOSEBACIC ACIDA1EB30.73
DSB4,7-DIOXOSEBACIC ACIDA,B1L6S0.73
DSB4,7-DIOXOSEBACIC ACIDA,B2C1H0.73
DHD2,4-DIOXO-PENTANEDIOIC ACIDA,B,C,D1CS10.78
PMLPIMELIC ACIDA1KGT0.75