Receptor
PDB id Resolution Class Description Source Keywords
3IOI 1.45 Å EC: 2.4.1.37 CRYSTAL STRUCTURE OF THE FUCOSYLGALACTOSIDE ALPHA N- ACETYLGALACTOSAMINYLTRANSFERASE (GTA, CISAB MUTANT L266G, GC OMPLEX WITH A NOVEL UDP-GAL DERIVED INHIBITOR (1GW) HOMO SAPIENS GTA ABO CISAB MUTANT AA(GLY)B ROSSMANN FOLD INHIBITOR CLOSED CONFORMATION BLOOD GROUP ANTIGEN GLYCOPROTEIN GLYCOSYLTRANSFERASE GOLGI APPARATUS MANGANESE MEMBRANE BINDING POLYMORPHISM SECRETED SIGNAL-ANCHOR TRANSFERASETRANSMEMBRANE
Ref.: STRUCTURAL AND MECHANISTIC BASIS FOR A NEW MODE OF GLYCOSYLTRANSFERASE INHIBITION. NAT.CHEM.BIOL. V. 6 321 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1GW A:355;
Valid;
none;
Ki = 0.53 uM
676.436 C20 H26 N2 O18 P2 S c1cc(...
MN A:1;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
SO4 A:2;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3IOI 1.45 Å EC: 2.4.1.37 CRYSTAL STRUCTURE OF THE FUCOSYLGALACTOSIDE ALPHA N- ACETYLGALACTOSAMINYLTRANSFERASE (GTA, CISAB MUTANT L266G, GC OMPLEX WITH A NOVEL UDP-GAL DERIVED INHIBITOR (1GW) HOMO SAPIENS GTA ABO CISAB MUTANT AA(GLY)B ROSSMANN FOLD INHIBITOR CLOSED CONFORMATION BLOOD GROUP ANTIGEN GLYCOPROTEIN GLYCOSYLTRANSFERASE GOLGI APPARATUS MANGANESE MEMBRANE BINDING POLYMORPHISM SECRETED SIGNAL-ANCHOR TRANSFERASETRANSMEMBRANE
Ref.: STRUCTURAL AND MECHANISTIC BASIS FOR A NEW MODE OF GLYCOSYLTRANSFERASE INHIBITION. NAT.CHEM.BIOL. V. 6 321 2010
Members (97)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1R7X - AIG FUC n/a n/a
2 1WT1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 2RJ6 - BHE C20 H38 O10 CCCCCCCCO[....
4 1ZI4 - NAG GAL FUC n/a n/a
5 1LZJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 3SX8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 1R7Y - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
8 1R7T - DLG FUC n/a n/a
9 2RJ0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
10 1ZI5 - NAG GAL FUC n/a n/a
11 5C3D - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
12 3SX3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
13 1R82 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
14 4FRO - GAL C6 H12 O6 C([C@@H]1[....
15 4FRM - GAL C6 H12 O6 C([C@@H]1[....
16 5C4B - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
17 1ZJ0 - GLC GAL n/a n/a
18 5C38 - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
19 5C47 - DA8 C20 H38 O9 CCCCCCCCO[....
20 5C48 - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
21 4FRL - GAL C6 H12 O6 C([C@@H]1[....
22 3SXB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
23 1ZJO - DR4 C16 H30 O8 COC(=O)CCC....
24 2RJ5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
25 2O1H - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
26 1R7V - AIG FUC n/a n/a
27 5C1H - DA8 C20 H38 O9 CCCCCCCCO[....
28 4FQW - GAL C6 H12 O6 C([C@@H]1[....
29 3IOJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
30 1ZJ1 - NDG GAL n/a n/a
31 5C3B - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
32 3V0L Ki = 3 uM 2GW C21 H28 N2 O17 P2 c1ccc(cc1)....
33 2A8W - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
34 2RJ7 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
35 3SXD - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
36 2A8U - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
37 5C4F - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
38 4FRA - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
39 5C1G - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
40 3V0P - BHE C20 H38 O10 CCCCCCCCO[....
41 5C4C - DA8 C20 H38 O9 CCCCCCCCO[....
42 4FRD - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
43 1ZIZ - GAL C6 H12 O6 C([C@@H]1[....
44 3I0F - U C9 H13 N2 O9 P C1=CN(C(=O....
45 4FRE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
46 3SXA - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
47 1ZJP - DR4 C16 H30 O8 COC(=O)CCC....
48 5C49 - 4YA C18 H34 O10 CCCCCCO[C@....
49 5C3A - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
50 5C4E - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
51 3ZGG - IUG C22 H30 N3 O19 P2 c1ccc(c(c1....
52 3I0I - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
53 1WT2 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
54 4GBP - GAL C6 H12 O6 C([C@@H]1[....
55 3V0Q - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
56 3I0G - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
57 1ZI3 - NDG GAL n/a n/a
58 1ZHJ - GAL C6 H12 O6 C([C@@H]1[....
59 4FRQ - GAL C6 H12 O6 C([C@@H]1[....
60 3I0L - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
61 5C4D - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
62 3ZGF - IUG C22 H30 N3 O19 P2 c1ccc(c(c1....
63 5C8R - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
64 3IOI Ki = 0.53 uM 1GW C20 H26 N2 O18 P2 S c1cc(sc1C=....
65 3SXG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
66 3I0J - BHG FUC n/a n/a
67 3SX5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
68 3SXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
69 3V0M - 5GW C15 H18 N2 O12 P2 c1ccc(cc1)....
70 4FRP - GAL C6 H12 O6 C([C@@H]1[....
71 4FRB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
72 3I0D - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
73 5TJN - HSH GLA FUC n/a n/a
74 1R80 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
75 2RJ9 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
76 3I0K - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
77 2RJ1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
78 4FRH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
79 2RJ4 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
80 3I0E - BHG FUC n/a n/a
81 5C1L - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
82 2RJ8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
83 1R7U - DLG FUC n/a n/a
84 2RIX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
85 5TJO - HSH GLA FUC n/a n/a
86 1ZJ3 - NAG GAL FUC n/a n/a
87 5BXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
88 5TJL - HSH A2G FUC n/a n/a
89 1LZI - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
90 2RIY - BHE C20 H38 O10 CCCCCCCCO[....
91 3SXE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
92 3SX7 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
93 5C36 - DA8 C20 H38 O9 CCCCCCCCO[....
94 5TJK - HSH A2G FUC n/a n/a
95 1ZJ2 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
96 1WT3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
97 1R81 - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
70% Homology Family (97)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1R7X - AIG FUC n/a n/a
2 1WT1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 2RJ6 - BHE C20 H38 O10 CCCCCCCCO[....
4 1ZI4 - NAG GAL FUC n/a n/a
5 1LZJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 3SX8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
7 1R7Y - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
8 1R7T - DLG FUC n/a n/a
9 2RJ0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
10 1ZI5 - NAG GAL FUC n/a n/a
11 5C3D - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
12 3SX3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
13 1R82 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
14 4FRO - GAL C6 H12 O6 C([C@@H]1[....
15 4FRM - GAL C6 H12 O6 C([C@@H]1[....
16 5C4B - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
17 1ZJ0 - GLC GAL n/a n/a
18 5C38 - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
19 5C47 - DA8 C20 H38 O9 CCCCCCCCO[....
20 5C48 - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
21 4FRL - GAL C6 H12 O6 C([C@@H]1[....
22 3SXB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
23 1ZJO - DR4 C16 H30 O8 COC(=O)CCC....
24 2RJ5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
25 2O1H - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
26 1R7V - AIG FUC n/a n/a
27 5C1H - DA8 C20 H38 O9 CCCCCCCCO[....
28 4FQW - GAL C6 H12 O6 C([C@@H]1[....
29 3IOJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
30 1ZJ1 - NDG GAL n/a n/a
31 5C3B - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
32 3V0L Ki = 3 uM 2GW C21 H28 N2 O17 P2 c1ccc(cc1)....
33 2A8W - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
34 2RJ7 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
35 3SXD - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
36 2A8U - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
37 5C4F - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
38 4FRA - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
39 5C1G - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
40 3V0P - BHE C20 H38 O10 CCCCCCCCO[....
41 5C4C - DA8 C20 H38 O9 CCCCCCCCO[....
42 4FRD - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
43 1ZIZ - GAL C6 H12 O6 C([C@@H]1[....
44 3I0F - U C9 H13 N2 O9 P C1=CN(C(=O....
45 4FRE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
46 3SXA - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
47 1ZJP - DR4 C16 H30 O8 COC(=O)CCC....
48 5C49 - 4YA C18 H34 O10 CCCCCCO[C@....
49 5C3A - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
50 5C4E - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
51 3ZGG - IUG C22 H30 N3 O19 P2 c1ccc(c(c1....
52 3I0I - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
53 1WT2 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
54 4GBP - GAL C6 H12 O6 C([C@@H]1[....
55 3V0Q - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
56 3I0G - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
57 1ZI3 - NDG GAL n/a n/a
58 1ZHJ - GAL C6 H12 O6 C([C@@H]1[....
59 4FRQ - GAL C6 H12 O6 C([C@@H]1[....
60 3I0L - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
61 5C4D - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
62 3ZGF - IUG C22 H30 N3 O19 P2 c1ccc(c(c1....
63 5C8R - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
64 3IOI Ki = 0.53 uM 1GW C20 H26 N2 O18 P2 S c1cc(sc1C=....
65 3SXG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
66 3I0J - BHG FUC n/a n/a
67 3SX5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
68 3SXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
69 3V0M - 5GW C15 H18 N2 O12 P2 c1ccc(cc1)....
70 4FRP - GAL C6 H12 O6 C([C@@H]1[....
71 4FRB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
72 3I0D - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
73 5TJN - HSH GLA FUC n/a n/a
74 1R80 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
75 2RJ9 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
76 3I0K - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
77 2RJ1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
78 4FRH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
79 2RJ4 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
80 3I0E - BHG FUC n/a n/a
81 5C1L - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
82 2RJ8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
83 1R7U - DLG FUC n/a n/a
84 2RIX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
85 5TJO - HSH GLA FUC n/a n/a
86 1ZJ3 - NAG GAL FUC n/a n/a
87 5BXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
88 5TJL - HSH A2G FUC n/a n/a
89 1LZI - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
90 2RIY - BHE C20 H38 O10 CCCCCCCCO[....
91 3SXE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
92 3SX7 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
93 5C36 - DA8 C20 H38 O9 CCCCCCCCO[....
94 5TJK - HSH A2G FUC n/a n/a
95 1ZJ2 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
96 1WT3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
97 1R81 - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
50% Homology Family (119)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2JCK - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
2 1GWV Kd = 0.053 mM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
3 1O7Q Kd = 0.032 mM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 2VS4 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
5 1GX4 Kd = 0.053 mM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
6 5NRE - BGC GAL n/a n/a
7 5NRB - BGC GAL n/a n/a
8 2VFZ Ki = 245 uM UPF C15 H23 F N2 O16 P2 C1=CN(C(=O....
9 1GX0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
10 1O7O Kd = 0.032 mM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
11 5NRD - BGC GAL n/a n/a
12 1VZU - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
13 2VS5 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
14 2WGZ - GAL NPO n/a n/a
15 2JCJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
16 1VZT Kd ~ 0.032 mM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
17 2VS3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
18 1VZX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
19 1G93 - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
20 1K4V - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
21 1G8O - U5P C9 H13 N2 O9 P C1=CN(C(=O....
22 1GWW Kd = 0.258 mM UDP GLC n/a n/a
23 1R7X - AIG FUC n/a n/a
24 1WT1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
25 2RJ6 - BHE C20 H38 O10 CCCCCCCCO[....
26 1ZI4 - NAG GAL FUC n/a n/a
27 1LZJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
28 3SX8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
29 1R7Y - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
30 1R7T - DLG FUC n/a n/a
31 2RJ0 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
32 1ZI5 - NAG GAL FUC n/a n/a
33 5C3D - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
34 3SX3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
35 1R82 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
36 4FRO - GAL C6 H12 O6 C([C@@H]1[....
37 4FRM - GAL C6 H12 O6 C([C@@H]1[....
38 5C4B - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
39 1ZJ0 - GLC GAL n/a n/a
40 5C38 - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
41 5C47 - DA8 C20 H38 O9 CCCCCCCCO[....
42 5C48 - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
43 4FRL - GAL C6 H12 O6 C([C@@H]1[....
44 3SXB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
45 1ZJO - DR4 C16 H30 O8 COC(=O)CCC....
46 2RJ5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
47 2O1H - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
48 1R7V - AIG FUC n/a n/a
49 5C1H - DA8 C20 H38 O9 CCCCCCCCO[....
50 4FQW - GAL C6 H12 O6 C([C@@H]1[....
51 3IOJ - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
52 1ZJ1 - NDG GAL n/a n/a
53 5C3B - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
54 3V0L Ki = 3 uM 2GW C21 H28 N2 O17 P2 c1ccc(cc1)....
55 2A8W - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
56 2RJ7 - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
57 3SXD - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
58 2A8U - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
59 5C4F - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
60 4FRA - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
61 5C1G - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
62 3V0P - BHE C20 H38 O10 CCCCCCCCO[....
63 5C4C - DA8 C20 H38 O9 CCCCCCCCO[....
64 4FRD - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
65 1ZIZ - GAL C6 H12 O6 C([C@@H]1[....
66 3I0F - U C9 H13 N2 O9 P C1=CN(C(=O....
67 4FRE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
68 3SXA - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
69 1ZJP - DR4 C16 H30 O8 COC(=O)CCC....
70 5C49 - 4YA C18 H34 O10 CCCCCCO[C@....
71 5C3A - URM C16 H26 N2 O16 P2 C1=CN(C(=O....
72 5C4E - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
73 3ZGG - IUG C22 H30 N3 O19 P2 c1ccc(c(c1....
74 3I0I - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
75 1WT2 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
76 4GBP - GAL C6 H12 O6 C([C@@H]1[....
77 3V0Q - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
78 3I0G - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
79 1ZI3 - NDG GAL n/a n/a
80 1ZHJ - GAL C6 H12 O6 C([C@@H]1[....
81 4FRQ - GAL C6 H12 O6 C([C@@H]1[....
82 3I0L - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
83 5C4D - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
84 3ZGF - IUG C22 H30 N3 O19 P2 c1ccc(c(c1....
85 5C8R - UPG C15 H24 N2 O17 P2 C1=CN(C(=O....
86 3IOI Ki = 0.53 uM 1GW C20 H26 N2 O18 P2 S c1cc(sc1C=....
87 3SXG - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
88 3I0J - BHG FUC n/a n/a
89 3SX5 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
90 3SXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
91 3V0M - 5GW C15 H18 N2 O12 P2 c1ccc(cc1)....
92 4FRP - GAL C6 H12 O6 C([C@@H]1[....
93 4FRB - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
94 3I0D - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
95 5TJN - HSH GLA FUC n/a n/a
96 1R80 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
97 2RJ9 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
98 3I0K - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
99 2RJ1 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
100 4FRH - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
101 2RJ4 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
102 3I0E - BHG FUC n/a n/a
103 5C1L - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
104 2RJ8 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
105 1R7U - DLG FUC n/a n/a
106 2RIX - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
107 5TJO - HSH GLA FUC n/a n/a
108 1ZJ3 - NAG GAL FUC n/a n/a
109 5BXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
110 5TJL - HSH A2G FUC n/a n/a
111 1LZI - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
112 2RIY - BHE C20 H38 O10 CCCCCCCCO[....
113 3SXE - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
114 3SX7 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
115 5C36 - DA8 C20 H38 O9 CCCCCCCCO[....
116 5TJK - HSH A2G FUC n/a n/a
117 1ZJ2 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
118 1WT3 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
119 1R81 - UD2 C17 H27 N3 O17 P2 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 1GW; Similar ligands found: 44
No: Ligand ECFP6 Tc MDL keys Tc
1 1GW 1 1
2 4GW 0.762887 0.945946
3 2GW 0.704762 0.958904
4 UFM 0.590476 0.917808
5 GDU 0.590476 0.917808
6 UPG 0.590476 0.917808
7 C5G 0.526786 0.87013
8 5GW 0.504587 0.918919
9 DAU 0.487179 0.871795
10 USQ 0.482759 0.807229
11 UPF 0.478261 0.87013
12 U2F 0.478261 0.87013
13 UFG 0.478261 0.87013
14 AWU 0.473684 0.891892
15 BUP 0.472222 0.833333
16 IUG 0.468254 0.797619
17 UD2 0.467213 0.905405
18 UD1 0.467213 0.905405
19 UGA 0.457627 0.90411
20 UGB 0.457627 0.90411
21 UGF 0.441667 0.857143
22 EPZ 0.431818 0.893333
23 EEB 0.428571 0.881579
24 EPU 0.428571 0.906667
25 UDP GAL 0.428571 0.891892
26 UDX 0.428571 0.891892
27 UAD 0.428571 0.891892
28 5FU 0.423077 0.820513
29 UTP 0.418182 0.864865
30 G3N 0.418033 0.868421
31 U5F 0.414414 0.864865
32 UD7 0.414062 0.88
33 HP7 0.414062 0.891892
34 MJZ 0.410853 0.868421
35 F5G 0.407692 0.88
36 GDC 0.40625 0.764706
37 GKE 0.40625 0.764706
38 GDD 0.40625 0.764706
39 UDZ 0.406015 0.814815
40 UMA 0.404255 0.893333
41 UDP 0.40367 0.864865
42 URM 0.403361 0.88
43 660 0.403361 0.88
44 5BU 0.401869 0.820513
Similar Ligands (3D)
Ligand no: 1; Ligand: 1GW; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3IOI; Ligand: 1GW; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3ioi.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3IOI; Ligand: 1GW; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3ioi.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
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