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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02316194

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9E0.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6X0.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1UQZ0.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1H410.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA1K9F0.7
GCV4-O-METHYL-ALPHA-D-GLUCURONIC ACIDA,B1V6W0.7
DMR2-HYDROXY-SUCCINIC ACIDA,B2YZO0.88
DMR2-HYDROXY-SUCCINIC ACIDA4CSC0.88
DMR2-HYDROXY-SUCCINIC ACIDH,L1C1E0.88
DMR2-HYDROXY-SUCCINIC ACIDA2CSC0.88
DMR2-HYDROXY-SUCCINIC ACIDA2AR90.88
GCW4-O-METHYL-BETA-D-GLUCURONIC ACIDA1L8N0.7
GCOGLUCONIC ACIDB,C,D1BGG0.72
GCOGLUCONIC ACIDA,B1XLF0.72
GKRD-GLUCARATEA3CXT0.7
GKRD-GLUCARATEA,B1JCT0.7
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.75
DERD-4-PHOSPHOERYTHRONIC ACIDA,B,C,D1LK70.76
DERD-4-PHOSPHOERYTHRONIC ACIDA,B2CXO0.76
3HL(3S)-3-HYDROXYBUTANOIC ACIDA2ECQ0.74
3HL(3S)-3-HYDROXYBUTANOIC ACIDA,B,C,D3EEW0.74
CS2D-MANNONIC ACIDA,B,C,D2QJM0.72
CS2D-MANNONIC ACIDA,B3DBN0.72
KPLKETOPANTOATEA,B,C,D,E,F,
G,H,I,J
1M3U0.73
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.74
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.74
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.71
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.71
IPM3-ISOPROPYLMALIC ACIDA,B1A050.77
IPM3-ISOPROPYLMALIC ACIDA1HJ60.77
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B,C,D2GCG0.74
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B2BO60.74
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.73
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.72
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.7
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.7
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.7
ICTISOCITRIC ACIDA1IDE0.74
ICTISOCITRIC ACIDA,B2UXR0.74
ICTISOCITRIC ACIDA,B1XKD0.74
ICTISOCITRIC ACIDA8ICD0.74
ICTISOCITRIC ACIDA,B,D1XG40.74
ICTISOCITRIC ACIDA1CW70.74
ICTISOCITRIC ACIDA1GRO0.74
ICTISOCITRIC ACIDA1W8G0.74
ICTISOCITRIC ACIDA5ICD0.74
ICTISOCITRIC ACIDA,B1LWD0.74
ICTISOCITRIC ACIDA,B,C,D1ITW0.74
ICTISOCITRIC ACIDA,B,C,D1T0L0.74
ICTISOCITRIC ACIDA1PB10.74
ICTISOCITRIC ACIDA1GRP0.74
ICTISOCITRIC ACIDA1CW10.74
ICTISOCITRIC ACIDA,B,C,D,E,F2QFW0.74
ICTISOCITRIC ACIDA1B0J0.74
ICTISOCITRIC ACIDA1W7F0.74
ICTISOCITRIC ACIDA7ACN0.74
ICTISOCITRIC ACIDA1C970.74
ICTISOCITRIC ACIDA1P8F0.74
ICTISOCITRIC ACIDA2CSG0.74
DEZ4-PHOSPHO-D-ERYTHRONATEA,B,C,D,E2BET0.76