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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03209440

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BG6BETA-D-GLUCOSE-6-PHOSPHATEA2CIR0.76
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B3BXG0.76
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B,C,D2POC0.76
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B2PUW0.76
BG6BETA-D-GLUCOSE-6-PHOSPHATEA1E7Y0.76
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B2NZT0.76
BG6BETA-D-GLUCOSE-6-PHOSPHATEA1E770.76
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B2BHL0.76
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B2Q8M0.76
BG6BETA-D-GLUCOSE-6-PHOSPHATEG,L2NZU0.76
DX5D-XYLITOL-5-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
2FLI0.83
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FBD0.79
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FBE0.79
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPE0.79
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPD0.79
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FBC0.79
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPG0.79
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPL0.79
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPI0.79
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPJ0.79
AHG2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATEA,B1FPF0.79
AHM2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATEA,B1FBG0.79
AHM2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATEA,B1FBF0.79
2IPD-MYO-INOSITOL-1,4-BISPHOSPHATEA1I9Z0.93
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1U270.87
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1FAO0.87
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA2UZS0.87
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1H100.87
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B2R0D0.87
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1B550.87
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1W1D0.87
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1BWN0.87
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1W2D0.87
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1FHX0.87
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B2R090.87
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1UNQ0.87
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1UPR0.87
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1FGY0.87
DG62-DEOXY-GLUCITOL-6-PHOSPHATEA,B1JKI0.9
BGPBETA-GALACTOSE-6-PHOSPHATEA,B4PBG0.76
A5PARABINOSE-5-PHOSPHATEA1UJ60.83
A5PARABINOSE-5-PHOSPHATEA,B1FXQ0.83
A5PARABINOSE-5-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
2NX30.83
A5PARABINOSE-5-PHOSPHATEA,B1LRQ0.83
A5PARABINOSE-5-PHOSPHATEA,B2CXP0.83
A5PARABINOSE-5-PHOSPHATEA,B1T8X0.83
A5PARABINOSE-5-PHOSPHATEA,B2EF90.83
A5PARABINOSE-5-PHOSPHATEA,B1FY60.83
A5PARABINOSE-5-PHOSPHATEA,B2NWS0.83
A5PARABINOSE-5-PHOSPHATEA,B2NXG0.83
A5PARABINOSE-5-PHOSPHATEA,B2A2I0.83
A5PARABINOSE-5-PHOSPHATEA,B1FWW0.83
D6G2-DEOXY-GLUCOSE-6-PHOSPHATEA2PRI0.76
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,F1OE50.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
1Q9X0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C2NP70.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D1PM50.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B2OFI0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,F1OE40.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEU,X1DE80.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1FZS0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C2NQ90.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F2NP60.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED1PHJ0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C2NQJ0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T2OZM0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEC1N390.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEC1N3A0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,V,Y1DE90.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C2IH50.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,I2P5O0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1FZL0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,I2P5G0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D1M5R0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1Y6F0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1P5W0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D9MHT0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6X0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6V0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D1PJJ0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1YCT0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6Y0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED2RBA0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED1FN70.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEX1M060.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1P590.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEB,U,X1DEW0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1HT40.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C1QUM0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1YCW0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D1IXY0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1N480.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C,E,F,I,J,K2OYQ0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,F1OE60.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEE,G,I,K2DTU0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D,G,H1PH50.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1HT70.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,G3EI20.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,D,F1N560.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F2IBT0.77
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C,D2P660.77
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.71
5IP(1R,2R,3R,4R,5S,6S)-6-HYDROXYCYCLOHEXANE-
1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)]
A2I5F0.87
CIPINOSITOL-2-METHYLENE-1,2-CYCLIC-
MONOPHOSPHATE
A,B1DJW0.72
ASO1,5-ANHYDROSORBITOLA1XIE0.73
ASO1,5-ANHYDROSORBITOLA3GUH0.73
ASO1,5-ANHYDROSORBITOLA,B2ASV0.73
ASO1,5-ANHYDROSORBITOLH,L2EC90.73
CBU(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-
1,2,3,4,5,6-HEXOL
A,B2VT00.83
AFPALPHA FRUCTOSE 1,6-DIPHOSPHATEA,B1FBH0.74
AFPALPHA FRUCTOSE 1,6-DIPHOSPHATEA1LLC0.74
1GPSN-GLYCEROL-1-PHOSPHATEA,B2F6X0.74
1GPSN-GLYCEROL-1-PHOSPHATEA,B,C,D2VYV0.74
A6P6-O-phosphono-alpha-D-allopyranoseA,B,C,D,E2VVO0.76
CAK[(1R,2R,3S,4S,5R)-2,3,4,5-TETRAHYDROXYCYCLOHEXYL]METHYL DIHYDROGEN PHOSPHATEA,B2GRU0.8