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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02218889

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4OX4-OXODECANEDIOIC ACIDA,B1L6Y0.79
4OX4-OXODECANEDIOIC ACIDA1GJP0.79
AKG2-OXYGLUTARIC ACIDA,B,C,D1YBA0.71
AKG2-OXYGLUTARIC ACIDA1DS10.71
AKG2-OXYGLUTARIC ACIDA1H2L0.71
AKG2-OXYGLUTARIC ACIDA,B,C1NX80.71
AKG2-OXYGLUTARIC ACIDA,B3BUC0.71
AKG2-OXYGLUTARIC ACIDA2RDN0.71
AKG2-OXYGLUTARIC ACIDA,B3BIE0.71
AKG2-OXYGLUTARIC ACIDA,D1OIK0.71
AKG2-OXYGLUTARIC ACIDA,B,C,D3DC10.71
AKG2-OXYGLUTARIC ACIDA,B2FDF0.71
AKG2-OXYGLUTARIC ACIDA3D8C0.71
AKG2-OXYGLUTARIC ACIDA1DRY0.71
AKG2-OXYGLUTARIC ACIDA,B2FDH0.71
AKG2-OXYGLUTARIC ACIDA,B,C2J9E0.71
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F2QFY0.71
AKG2-OXYGLUTARIC ACIDA1UNB0.71
AKG2-OXYGLUTARIC ACIDA,B,C,D1OIJ0.71
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F2QFX0.71
AKG2-OXYGLUTARIC ACIDA,B1GQW0.71
AKG2-OXYGLUTARIC ACIDA,B3BKZ0.71
AKG2-OXYGLUTARIC ACIDA,B2GP50.71
AKG2-OXYGLUTARIC ACIDA,B3GJB0.71
AKG2-OXYGLUTARIC ACIDA1GP40.71
AKG2-OXYGLUTARIC ACIDA2RDQ0.71
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F1HWY0.71
AKG2-OXYGLUTARIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
2VDC0.71
AKG2-OXYGLUTARIC ACIDA,B3BU00.71
AKG2-OXYGLUTARIC ACIDA,B2FCT0.71
AKG2-OXYGLUTARIC ACIDA,B,F,G2Q8C0.71
AKG2-OXYGLUTARIC ACIDA,B1GY90.71
AKG2-OXYGLUTARIC ACIDA,B,C,D1OII0.71
AKG2-OXYGLUTARIC ACIDA2A1X0.71
AKG2-OXYGLUTARIC ACIDA1H2N0.71
AKG2-OXYGLUTARIC ACIDA,B,C1NX40.71
AKG2-OXYGLUTARIC ACIDA2BRT0.71
AKG2-OXYGLUTARIC ACIDA,B2FCV0.71
AKG2-OXYGLUTARIC ACIDA,B2FDI0.71
AKG2-OXYGLUTARIC ACIDA2YU10.71
AKG2-OXYGLUTARIC ACIDA,B2FDK0.71
AKG2-OXYGLUTARIC ACIDA1E5I0.71
AKG2-OXYGLUTARIC ACIDA1UOB0.71
AKG2-OXYGLUTARIC ACIDA,B1OFE0.71
AKG2-OXYGLUTARIC ACIDA2ILM0.71
AKG2-OXYGLUTARIC ACIDA,B2FCU0.71
AKG2-OXYGLUTARIC ACIDA,B1AIB0.71
AKG2-OXYGLUTARIC ACIDA1RXG0.71
AKG2-OXYGLUTARIC ACIDA1MZF0.71
AKG2-OXYGLUTARIC ACIDA,B1EA00.71
AKG2-OXYGLUTARIC ACIDA1DRT0.71
AKG2-OXYGLUTARIC ACIDA2IUW0.71
AKG2-OXYGLUTARIC ACIDA,B,C,D3BN10.71
AKG2-OXYGLUTARIC ACIDA,B2FD80.71
AKG2-OXYGLUTARIC ACIDA2JJH0.71
AKG2-OXYGLUTARIC ACIDA1IKA0.71
AKG2-OXYGLUTARIC ACIDA,B,C,D1OS70.71
AKG2-OXYGLUTARIC ACIDA1MDX0.71
AKG2-OXYGLUTARIC ACIDA,B1OFD0.71
AKG2-OXYGLUTARIC ACIDA2CJH0.71
AKG2-OXYGLUTARIC ACIDA1GP50.71
AKG2-OXYGLUTARIC ACIDA1CW40.71
AKG2-OXYGLUTARIC ACIDA,B3BI30.71
AKG2-OXYGLUTARIC ACIDA1BL50.71
AKG2-OXYGLUTARIC ACIDA1LLW0.71
AKG2-OXYGLUTARIC ACIDA2ZE30.71
AKG2-OXYGLUTARIC ACIDA1GVG0.71
SHVHEPTANOIC ACIDA1PO80.71
6NAHEXANOIC ACIDA,B2IX40.76
6NAHEXANOIC ACIDA,B2IWZ0.76
6NAHEXANOIC ACIDA2IQ00.76
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.7
DSB4,7-DIOXOSEBACIC ACIDA,B1I8J0.81
DSB4,7-DIOXOSEBACIC ACIDA1EB30.81
DSB4,7-DIOXOSEBACIC ACIDA,B1L6S0.81
DSB4,7-DIOXOSEBACIC ACIDA,B2C1H0.81
OXS2-OXALOSUCCINIC ACIDA1IDC0.7
SHFLAEVULINIC ACIDA1YLV0.79
SHFLAEVULINIC ACIDA1H7N0.79
OAAOXALOACETATE IONA,B,C2ACZ0.73
OAAOXALOACETATE IONA1CSR0.73
OAAOXALOACETATE IONX2PXZ0.73
OAAOXALOACETATE IONA1RQE0.73
OAAOXALOACETATE IONA1AL60.73
OAAOXALOACETATE IONA1OAA0.73
OAAOXALOACETATE IONA,B,C,D1NEK0.73
OAAOXALOACETATE IONA2BYO0.73
OAAOXALOACETATE IONA,B2QF20.73
OAAOXALOACETATE IONA1CSS0.73
OAAOXALOACETATE IONA1Z6K0.73
OAAOXALOACETATE IONA1NAS0.73
OAAOXALOACETATE IONA1CSH0.73
OAAOXALOACETATE IONA,B,C,M,N,O,P1KF60.73
OAAOXALOACETATE IONA,B,C,D2IFC0.73
OAAOXALOACETATE IONA1CSI0.73
OAAOXALOACETATE IONA,B,C,D,E,F2H120.73
OAAOXALOACETATE IONA,B,D,M,N,O,P1L0V0.73
OAAOXALOACETATE IONA2QF10.73
OAAOXALOACETATE IONA,B,C1SGJ0.73
OAAOXALOACETATE IONA,B,C1NEN0.73
OAAOXALOACETATE IONA,B,C,D2R260.73
OAAOXALOACETATE IONA,B,D,M,N,O,P1KFY0.73
OAAOXALOACETATE IONA,B4CTS0.73
OAAOXALOACETATE IONA1B8U0.73
OAAOXALOACETATE IONA5CTS0.73
AAEACETOACETIC ACIDA,B,C,D3EEW0.71
AAEACETOACETIC ACIDA1FCP0.71
AAEACETOACETIC ACIDA1UJW0.71
AAEACETOACETIC ACIDA,B1QCO0.71
AAEACETOACETIC ACIDA,B,C,D,L1E3W0.71
AAEACETOACETIC ACIDA,B1YSL0.71
AAEACETOACETIC ACIDA2FCP0.71
SHU4,6-DIOXOHEPTANOIC ACIDA1H7R0.85
LAF5-FLUOROLEVULINIC ACIDA,B1GZG0.74
DHD2,4-DIOXO-PENTANEDIOIC ACIDA,B,C,D1CS10.74
4AT5-OXOHEXANOIC ACIDA,B2EFY0.76
OOA3-OXOOCTANOIC ACIDA,B,C,D1H0M0.79
PMLPIMELIC ACIDA1KGT0.75
LIM3-OXO-PENTADECANOIC ACIDA2FCP0.77
LIM3-OXO-PENTADECANOIC ACIDA1UJW0.77
LIM3-OXO-PENTADECANOIC ACIDA1FCP0.77