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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03229272

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HTGHEPTYL 1-THIOHEXOPYRANOSIDEB2PL70.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEF,H2PL60.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B1U190.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNJ0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJE0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2G870.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2PED0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNI0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJB0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNH0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2BGI0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJD0.75
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2HPY0.75
GLT5-DEOXY-5-THIO-ALPHA-D-GLUCOSEA,B1XLI0.86
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA00.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1LBH0.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1TLF0.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA30.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1PX40.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C1KRU0.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D3DYO0.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B2P9H0.77
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1JYX0.77
I4P(1S,3R,4R,6S)-1,3,4,6-TETRAPKISPHOSPHATEX1Z2O0.73
BG6BETA-D-GLUCOSE-6-PHOSPHATEA2CIR0.71
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B3BXG0.71
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B,C,D2POC0.71
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B2PUW0.71
BG6BETA-D-GLUCOSE-6-PHOSPHATEA1E7Y0.71
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B2NZT0.71
BG6BETA-D-GLUCOSE-6-PHOSPHATEA1E770.71
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B2BHL0.71
BG6BETA-D-GLUCOSE-6-PHOSPHATEA,B2Q8M0.71
BG6BETA-D-GLUCOSE-6-PHOSPHATEG,L2NZU0.71
IP2D-MYO-INOSITOL-4,5-BISPHOSPHATEA1HG20.77
IP2D-MYO-INOSITOL-4,5-BISPHOSPHATEA,B1DJZ0.77
2IPD-MYO-INOSITOL-1,4-BISPHOSPHATEA1I9Z0.77
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A1J2Z0.74
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B1VA50.74
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B,C,D2VT40.74
F2P1,6-DI-O-PHOSPHONO-D-ALLITOLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
2QJG0.75
F2P1,6-DI-O-PHOSPHONO-D-ALLITOLA,B,C,D,E,F,
G,H,I,J
1W8R0.75
LXPL-XYLITOL 5-PHOSPHATEA,B1Q6Q0.72
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1F9O0.71
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1OCJ0.71
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1UOZ0.71
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1H5V0.71
I2PD-MYO-INOSITOL-2,4,5-TRIPHOSPHATEA,B1DJY0.77
TDGTHIODIGALACTOSIDEA,B1PV70.77
TDGTHIODIGALACTOSIDEA,B1A780.77
TDGTHIODIGALACTOSIDED,E,F,G,H1LT50.77
TDGTHIODIGALACTOSIDEA,B,C,D,E1MUQ0.77
ITPPHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-
5-PHOSPHONOOXY-CYCLOHEXYL) ESTER
A,B1JOC0.77
ITPPHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-
5-PHOSPHONOOXY-CYCLOHEXYL) ESTER
A1HYI0.77
F1P1-O-PHOSPHONO-BETA-D-FRUCTOPYRANOSEA,B2DF80.73
IP5(1R,2S,3R,4S,5S,6R)-6-HYDROXYCYCLOHEXANE-
1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)]
A,B,C2I5C0.73
GPMGLUCOPYRANOSYL-1-METHYL-PHOSPHONIC ACIDA5GPB0.7
FPCD-FRUCTOSE-6-PHOSPHATE (OPEN FORM)A,B1FQO0.78
FPCD-FRUCTOSE-6-PHOSPHATE (OPEN FORM)A,B2GC20.78
GL11-O-phosphono-alpha-D-galactopyranoseA,B1Z4N0.71
GL11-O-phosphono-alpha-D-galactopyranoseA,B1Z4O0.71
VG1ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATEA1C4G0.71
MRU5-S-METHYL-1-O-PHOSPHONO-5-THIO-
D-RIBULOSE
A,B,C,D2YVK0.7
TCBTHIOCELLOBIOSEA2O9R0.71
TCBTHIOCELLOBIOSEA1IEX0.71
BGPBETA-GALACTOSE-6-PHOSPHATEA,B4PBG0.71
MA11,4-dithio-alpha-D-glucopyranoseA1JFH0.71
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1H0A0.77
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1NU20.77
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1GC60.77
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1MAI0.77
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA2P0D0.77
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1OQN0.77
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1U290.77
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1W2C0.77
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B1DJX0.77
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA2A980.77
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1N4K0.77
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA,B3C5N0.77
I3PD-MYO-INOSITOL-1,4,5-TRIPHOSPHATEA1BTN0.77
I3S(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-
INOSITOL
X1Z2P0.77
I3S(1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-
INOSITOL
A2P0H0.77
5IP(1R,2R,3R,4R,5S,6S)-6-HYDROXYCYCLOHEXANE-
1,2,3,4,5-PENTAYL PENTAKIS[DIHYDROGEN (PHOSPHATE)]
A2I5F0.73
D6G2-DEOXY-GLUCOSE-6-PHOSPHATEA2PRI0.71
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,C1L1T0.7
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,C1L2D0.7
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B1JCJ0.7
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B1JCL0.7
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B,C1RRS0.7
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,C1L2C0.7
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B,C1VRL0.7
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B,C,D1UB30.7
I5PINOSITOL-(1,3,4,5,6)-PENTAKISPHOSPHATEA,B1FHW0.73
MA24-S-methyl-4-thio-alpha-D-glucopyranoseA1JFH0.71
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1IMA0.78
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1G0H0.78
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B,C2ORK0.78
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1AWB0.78
IPDD-MYO-INOSITOL-1-PHOSPHATEA,B1LBX0.78
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
M6PALPHA-D-MANNOSE-6-PHOSPHATEA,B1SZ00.71
M6PALPHA-D-MANNOSE-6-PHOSPHATEX1PCM0.71
M6PALPHA-D-MANNOSE-6-PHOSPHATEA,B2GC30.71
M6PALPHA-D-MANNOSE-6-PHOSPHATEA,B1SYO0.71
M6PALPHA-D-MANNOSE-6-PHOSPHATEA,B3C0O0.71
M6PALPHA-D-MANNOSE-6-PHOSPHATEA,B2RL90.71
M6PALPHA-D-MANNOSE-6-PHOSPHATEA,B1M6P0.71
DG62-DEOXY-GLUCITOL-6-PHOSPHATEA,B1JKI0.78
S6PD-SORBITOL-6-PHOSPHATEA,B2CXQ0.78
S6PD-SORBITOL-6-PHOSPHATEA,B1XTB0.78
S6PD-SORBITOL-6-PHOSPHATEA,B2GC10.78
S6PD-SORBITOL-6-PHOSPHATEA,B,C,D,E,F3CTL0.78
BGSBETA-D-GLUCOPYRANOSYLSULFONYLETHANEA2B5Z0.72
GS11-THIO-BETA-D-GLUCOPYRANOSEA,B1KFG0.72
FSA1-S-(carboxymethyl)-1-thio-beta-
D-fructopyranose
A,B3DJE0.7
ASU4'-THIO-2'4'-DIDEOXYRIBOFURANOSE-
5'-PHOSPHATE
A,B1EMJ0.79
DX5D-XYLITOL-5-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
2FLI0.72
M1PALPHA-D-MANNOSE 1-PHOSPHATEA2FUE0.71
M1PALPHA-D-MANNOSE 1-PHOSPHATEX1PCJ0.71
M6D6-O-phosphono-beta-D-mannopyranoseA,B2RLB0.71
M6D6-O-phosphono-beta-D-mannopyranoseA,B2RL80.71
G1PALPHA-D-GLUCOSE-1-PHOSPHATEA,B,C,D1H5R0.71
G1PALPHA-D-GLUCOSE-1-PHOSPHATEA,B,C,D,E,F,
G,H
2UX80.71
G1PALPHA-D-GLUCOSE-1-PHOSPHATEA,B,C,D,E,F,
G,H
1G230.71
G1PALPHA-D-GLUCOSE-1-PHOSPHATEA2B0C0.71
G1PALPHA-D-GLUCOSE-1-PHOSPHATEA,B1L5V0.71
G1PALPHA-D-GLUCOSE-1-PHOSPHATEA,B,C,D,E,F,
G,H
1G0R0.71
G1PALPHA-D-GLUCOSE-1-PHOSPHATEA3GPB0.71
G1PALPHA-D-GLUCOSE-1-PHOSPHATEA1UXT0.71
G1PALPHA-D-GLUCOSE-1-PHOSPHATEX3BKQ0.71
G1PALPHA-D-GLUCOSE-1-PHOSPHATEA1UXQ0.71
G1PALPHA-D-GLUCOSE-1-PHOSPHATEA,B1NT40.71
G1PALPHA-D-GLUCOSE-1-PHOSPHATEX1P5D0.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA,B,C,D,E,F,
G,H
1UP60.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA2ZJ30.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA,B1HKB0.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEX1U8X0.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEX1P5G0.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA,B2HO70.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA1GPY0.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA,B2H0Z0.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA,B1BG30.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA,B,C,D,E,F,
G,H
1UP70.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA2VEZ0.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA2ACQ0.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA,B,C,D1GZ50.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA1MOR0.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA,B1QHA0.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA,B1U0F0.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEA,B2Z740.71
G6PALPHA-D-GLUCOSE-6-PHOSPHATEN1CZA0.71
LIPL-MYO-INOSITOL-1-PHOSPHATEA,B1IMB0.78
LIPL-MYO-INOSITOL-1-PHOSPHATEA,B3C4V0.78
R5PRIBOSE-5-PHOSPHATEA,B,C,D1U9Z0.72
R5PRIBOSE-5-PHOSPHATEA1V8T0.72
R5PRIBOSE-5-PHOSPHATEA,B1ZHA0.72
R5PRIBOSE-5-PHOSPHATEA,B1ZJI0.72
R5PRIBOSE-5-PHOSPHATEA,B1JCY0.72
R5PRIBOSE-5-PHOSPHATEA,B2R5N0.72
A6P6-O-phosphono-alpha-D-allopyranoseA,B,C,D,E2VVO0.71
M2PD-MANNITOL-1,6-DIPHOSPHATEA2Q8J0.75
M2PD-MANNITOL-1,6-DIPHOSPHATEA,B,C,D2QDH0.75
M2PD-MANNITOL-1,6-DIPHOSPHATEA,B,C,D1ZAJ0.75