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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03089401

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2IPD-MYO-INOSITOL-1,4-BISPHOSPHATEA1I9Z0.77
293(2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-
2H-pyran-2,4,5-triol
A,B,C2RIE0.81
3MG3-O-methyl-beta-D-glucopyranoseA2QW10.86
1GL4-O-METHYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B,C,D1VAQ0.86
1GL4-O-METHYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKH0.86
1GL4-O-METHYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKI0.86
1GL4-O-METHYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1D830.86
2DG2-DEOXY-BETA-D-GALACTOSEA,B,C,D1JZ30.84
2DG2-DEOXY-BETA-D-GALACTOSEA,B,C,D1JZ40.84
A6P6-O-phosphono-alpha-D-allopyranoseA,B,C,D,E2VVO0.98
2FL2-FLUORO-2-DEOXY-LACTOSEI,J,K,L,M,N,
O,P
1JYZ0.74
2FL2-FLUORO-2-DEOXY-LACTOSEA,B,C,D,E,F,
G,H
1JYY0.74
5IP(1R,2R,3R,4R,5S,6S)-6-HYDROXYCYCLOHEXANE-
1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)]
A2I5F0.73
4PT(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-
DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
2-(1-HYDROXYBUTOXY)PROPYL BUTYRATE
A1W1G0.77
4PT(2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-
DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-
2-(1-HYDROXYBUTOXY)PROPYL BUTYRATE
A,B,C,D2Z0P0.77
289D-glycero-alpha-D-manno-heptopyranoseA,B,C2RIA0.81
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.76
2FG2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSEI,J,K,L,M,N,
O,P
1JZ10.81
2FG2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSEA,B,C,D,E,F,
G,H
1JZ00.81
2FG2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSEA,B,C,D1JZ20.81
A5PARABINOSE-5-PHOSPHATEA1UJ60.72
A5PARABINOSE-5-PHOSPHATEA,B1FXQ0.72
A5PARABINOSE-5-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
2NX30.72
A5PARABINOSE-5-PHOSPHATEA,B1LRQ0.72
A5PARABINOSE-5-PHOSPHATEA,B2CXP0.72
A5PARABINOSE-5-PHOSPHATEA,B1T8X0.72
A5PARABINOSE-5-PHOSPHATEA,B2EF90.72
A5PARABINOSE-5-PHOSPHATEA,B1FY60.72
A5PARABINOSE-5-PHOSPHATEA,B2NWS0.72
A5PARABINOSE-5-PHOSPHATEA,B2NXG0.72
A5PARABINOSE-5-PHOSPHATEA,B2A2I0.72
A5PARABINOSE-5-PHOSPHATEA,B1FWW0.72
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1U270.73
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1FAO0.73
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA2UZS0.73
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1H100.73
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B2R0D0.73
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1B550.73
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1W1D0.73
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1BWN0.73
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1W2D0.73
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B1FHX0.73
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA,B2R090.73
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1UNQ0.73
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1UPR0.73
4IPINOSITOL-(1,3,4,5)-TETRAKISPHOSPHATEA1FGY0.73
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPA1A9J0.83
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPC,D1MTL0.83
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPB,C2OYT0.83
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPA1G5E0.83
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPD1MWI0.83
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPA1A9I0.83
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPA1GJ00.83
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPB1SJL0.83
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPA2SSP0.83
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPA1A9G0.83
AAB2-DEOXY-5-PHOSPHORIBOSE GROUPA1A9H0.83
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,F1OE50.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
1Q9X0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C2NP70.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D1PM50.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B2OFI0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,F1OE40.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEU,X1DE80.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1FZS0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C2NQ90.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F2NP60.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED1PHJ0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C2NQJ0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T2OZM0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEC1N390.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEC1N3A0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,V,Y1DE90.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C2IH50.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,I2P5O0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1FZL0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,I2P5G0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D1M5R0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1Y6F0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1P5W0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D9MHT0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6X0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6V0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D1PJJ0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1YCT0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6Y0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED2RBA0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED1FN70.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEX1M060.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1P590.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEB,U,X1DEW0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1HT40.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C1QUM0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1YCW0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D1IXY0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1N480.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C,E,F,I,J,K2OYQ0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,F1OE60.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEE,G,I,K2DTU0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D,G,H1PH50.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1HT70.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,G3EI20.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,D,F1N560.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F2IBT0.71
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C,D2P660.71
2GS2-O-METHYL-ALPHA-D-GALACTOPYRANOSEA,B,C,D2DTW0.84
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKH0.78
2GL4-O-ACETYL-2,6-DIDEOXY-ALPHA-D-
GALACTO-HEXOPYRANOSE
A,B1EKI0.78
3FM3-O-FORMAMIDO-ALPHA-D-MANNOPYRANOSIDEA1AO40.71
3PI(1S)-2-(1-HYDROXYBUTOXY)-1-{[(HYDROXY{[(2R,3S,5R,6S)-
2,4,6-TRIHYDROXY-3,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTYRATE
A1ZVR0.78