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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02218768

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.71
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.71
KPLKETOPANTOATEA,B,C,D,E,F,
G,H,I,J
1M3U0.72
DEZ4-PHOSPHO-D-ERYTHRONATEA,B,C,D,E2BET0.75
OAAOXALOACETATE IONA,B,C2ACZ0.82
OAAOXALOACETATE IONA1CSR0.82
OAAOXALOACETATE IONX2PXZ0.82
OAAOXALOACETATE IONA1RQE0.82
OAAOXALOACETATE IONA1AL60.82
OAAOXALOACETATE IONA1OAA0.82
OAAOXALOACETATE IONA,B,C,D1NEK0.82
OAAOXALOACETATE IONA2BYO0.82
OAAOXALOACETATE IONA,B2QF20.82
OAAOXALOACETATE IONA1CSS0.82
OAAOXALOACETATE IONA1Z6K0.82
OAAOXALOACETATE IONA1NAS0.82
OAAOXALOACETATE IONA1CSH0.82
OAAOXALOACETATE IONA,B,C,M,N,O,P1KF60.82
OAAOXALOACETATE IONA,B,C,D2IFC0.82
OAAOXALOACETATE IONA1CSI0.82
OAAOXALOACETATE IONA,B,C,D,E,F2H120.82
OAAOXALOACETATE IONA,B,D,M,N,O,P1L0V0.82
OAAOXALOACETATE IONA2QF10.82
OAAOXALOACETATE IONA,B,C1SGJ0.82
OAAOXALOACETATE IONA,B,C1NEN0.82
OAAOXALOACETATE IONA,B,C,D2R260.82
OAAOXALOACETATE IONA,B,D,M,N,O,P1KFY0.82
OAAOXALOACETATE IONA,B4CTS0.82
OAAOXALOACETATE IONA1B8U0.82
OAAOXALOACETATE IONA5CTS0.82
ITMISOCITRIC ACID-MAGNESIUM COMPLEXA1AI30.72
LMR(2S)-2-hydroxybutanedioic acidA3CSC0.93
LMR(2S)-2-hydroxybutanedioic acidA,B2W980.93
LMR(2S)-2-hydroxybutanedioic acidA1CSC0.93
LMR(2S)-2-hydroxybutanedioic acidA,B3ES70.93
LMR(2S)-2-hydroxybutanedioic acidA,B,C,D,E,F,
G,H
3ES80.93
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D1HL20.73
3PY3-HYDROXYPYRUVIC ACIDA,B1O5X0.73
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1NFV0.73
3PY3-HYDROXYPYRUVIC ACIDA,B,C,D1FDY0.73
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.71
OAF2,2-difluoro-3,3-dihydroxybutanedioic acidA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
3FA30.7
ICAISOCITRATE CALCIUM COMPLEXA1AI20.72
DERD-4-PHOSPHOERYTHRONIC ACIDA,B,C,D1LK70.75
DERD-4-PHOSPHOERYTHRONIC ACIDA,B2CXO0.75
GCOGLUCONIC ACIDB,C,D1BGG0.71
GCOGLUCONIC ACIDA,B1XLF0.71
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.73
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.73
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.73
CS2D-MANNONIC ACIDA,B,C,D2QJM0.71
CS2D-MANNONIC ACIDA,B3DBN0.71
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B,C,D2GCG0.78
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B2BO60.78
ICTISOCITRIC ACIDA1IDE0.73
ICTISOCITRIC ACIDA,B2UXR0.73
ICTISOCITRIC ACIDA,B1XKD0.73
ICTISOCITRIC ACIDA8ICD0.73
ICTISOCITRIC ACIDA,B,D1XG40.73
ICTISOCITRIC ACIDA1CW70.73
ICTISOCITRIC ACIDA1GRO0.73
ICTISOCITRIC ACIDA1W8G0.73
ICTISOCITRIC ACIDA5ICD0.73
ICTISOCITRIC ACIDA,B1LWD0.73
ICTISOCITRIC ACIDA,B,C,D1ITW0.73
ICTISOCITRIC ACIDA,B,C,D1T0L0.73
ICTISOCITRIC ACIDA1PB10.73
ICTISOCITRIC ACIDA1GRP0.73
ICTISOCITRIC ACIDA1CW10.73
ICTISOCITRIC ACIDA,B,C,D,E,F2QFW0.73
ICTISOCITRIC ACIDA1B0J0.73
ICTISOCITRIC ACIDA1W7F0.73
ICTISOCITRIC ACIDA7ACN0.73
ICTISOCITRIC ACIDA1C970.73
ICTISOCITRIC ACIDA1P8F0.73
ICTISOCITRIC ACIDA2CSG0.73
IPM3-ISOPROPYLMALIC ACIDA,B1A050.73
IPM3-ISOPROPYLMALIC ACIDA1HJ60.73
PAFPANTOATEA,B2OFP0.74
PAFPANTOATEA,B1N2E0.74
PAFPANTOATEA,B1N2B0.74
PAFPANTOATEA,B1N2J0.74
MLTMALATE IONA1WZU0.93
MLTMALATE IONA,B3G1P0.93
MLTMALATE IONA,B1KQ70.93
MLTMALATE IONA3BI80.93
MLTMALATE IONA,B2GQ30.93
MLTMALATE IONA2VKL0.93
MLTMALATE IONA1AMZ0.93
MLTMALATE IONA3B7O0.93
MLTMALATE IONA,B,C,D2DFD0.93
MLTMALATE IONA,B2Z1Z0.93
MLTMALATE IONA,B1N8W0.93
MLTMALATE IONA,B,C,D1PJ40.93
MLTMALATE IONA,B1FUO0.93
MLTMALATE IONA,B,C,D1OUW0.93
MLTMALATE IONA2BYO0.93
MLTMALATE IONA,B2G760.93
MLTMALATE IONX2FGQ0.93
MLTMALATE IONB2VJ20.93
MLTMALATE IONA1XUU0.93
MLTMALATE IONA,B1FUP0.93
MLTMALATE IONA,B,C,D,E,F,
G,H
3D470.93
MLTMALATE IONA,B,C,D1NBE0.93
MLTMALATE IONA2IMG0.93
MLTMALATE IONA3CM40.93
MLTMALATE IONA3BY80.93
MLTMALATE IONA,B,C,D1WWJ0.93
MLTMALATE IONA,B1FUR0.93
MLTMALATE IONA,B,C,D1PJ20.93
MLTMALATE IONA3DR30.93
DMR2-HYDROXY-SUCCINIC ACIDA,B2YZO0.93
DMR2-HYDROXY-SUCCINIC ACIDA4CSC0.93
DMR2-HYDROXY-SUCCINIC ACIDH,L1C1E0.93
DMR2-HYDROXY-SUCCINIC ACIDA2CSC0.93
DMR2-HYDROXY-SUCCINIC ACIDA2AR90.93