Receptor
PDB id Resolution Class Description Source Keywords
3ZGG 1.9 Å EC: 2.4.1.37 CRYSTAL STRUCTURE OF THE FUCOSYLGALACTOSIDE ALPHA N- ACETYLGALACTOSAMINYLTRANSFERASE (GTA, CISAB MUTANT L266G, GI N COMPLEX WITH NPE CAGED UDP-GAL (C222(1) SPACE GROUP) HOMO SAPIENS TRANSFERASE GLYCOSYLTRANSFERASES CATALYTIC DOMAIN
Ref.: STRUCTURES OF A HUMAN BLOOD GROUP GLYCOSYLTRANSFERA COMPLEX WITH A PHOTO-ACTIVATABLE UDP-GAL DERIVATIVE TWO DIFFERENT BINDING CONFORMATIONS ACTA CRYSTALLOGR.,SECT.F V. 70 1015 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:1348;
 Part of Protein;
 none;
 submit data
54.938 Mn [Mn+2...
IUG A:1346;
 Valid;
 none;
 submit data
702.43 C22 H30 N3 O19 P2 c1ccc...
GOL A:1347;
 Invalid;
 none;
 submit data
92.094 C3 H8 O3 C(C(C...
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: IUG; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 IUG 1 1
2 UFM 0.693878 0.835443
3 GDU 0.693878 0.835443
4 UPG 0.693878 0.835443
5 USQ 0.660194 0.741573
6 AWU 0.653465 0.835443
7 UFG 0.625 0.795181
8 UGB 0.613208 0.846154
9 UGA 0.613208 0.846154
10 UAD 0.59434 0.835443
11 UDX 0.59434 0.835443
12 UPF 0.59434 0.795181
13 U2F 0.59434 0.795181
14 UDP 0.583333 0.810127
15 UGF 0.577982 0.804878
16 G3N 0.577982 0.814815
17 UPP 0.571429 0.835443
18 UTP 0.565657 0.810127
19 UD1 0.561404 0.825
20 UD2 0.561404 0.825
21 U5F 0.56 0.810127
22 UD7 0.551724 0.825
23 F5P 0.542373 0.814815
24 UD4 0.542373 0.814815
25 F5G 0.542373 0.825
26 HP7 0.538462 0.835443
27 2GW 0.534483 0.82716
28 UNP 0.533981 0.835443
29 MJZ 0.533898 0.814815
30 EPZ 0.528455 0.814815
31 UDZ 0.52459 0.853659
32 EPU 0.524194 0.804878
33 EEB 0.524194 0.804878
34 UDP GAL 0.522523 0.835443
35 3UC 0.517544 0.795181
36 UDH 0.513761 0.735632
37 UPU 0.509434 0.810127
38 660 0.509091 0.802469
39 URM 0.509091 0.802469
40 U5P 0.505155 0.797468
41 U 0.505155 0.797468
42 UMA 0.492424 0.814815
43 12V 0.491803 0.783133
44 HWU 0.491803 0.783133
45 C5G 0.491228 0.817073
46 UDP UDP 0.490196 0.807692
47 44P 0.49 0.780488
48 U22 0.481752 0.717391
49 2KH 0.471698 0.835443
50 U20 0.471014 0.733333
51 U21 0.471014 0.733333
52 1GW 0.468254 0.797619
53 UDM 0.466667 0.792683
54 Y6W 0.464912 0.77381
55 2QR 0.453901 0.764045
56 UAG 0.44898 0.776471
57 4RA 0.442177 0.811765
58 UP5 0.430769 0.788235
59 5GW 0.429825 0.814815
60 UD0 0.426667 0.802326
61 UML 0.415094 0.733333
62 4TC 0.413534 0.770115
63 URI 0.402062 0.721519
64 CXY 0.401639 0.817073
Similar Ligands (3D)
Ligand no: 1; Ligand: IUG; 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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