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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 - DR2 C20 H35 N O15 C[C@H]1[C@....
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 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
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 - LAT C12 H22 O11 C([C@@H]1[....
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 - NLC C14 H25 N O11 CC(=O)N[C@....
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 - DR5 C13 H24 O11 CO[C@H]1[C....
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 - NLC C14 H25 N O11 CC(=O)N[C@....
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 - BGB C26 H48 O15 CCCCCCCCO[....
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 - BGB C26 H48 O15 CCCCCCCCO[....
86 1ZJ3 - DR2 C20 H35 N O15 C[C@H]1[C@....
87 5BXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
88 5TJL - BGA C28 H51 N O15 CCCCCCCCO[....
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 - BGA C28 H51 N O15 CCCCCCCCO[....
95 1ZJ2 - DR3 C20 H35 N O15 CC1C(C(C(C....
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 - DR2 C20 H35 N O15 C[C@H]1[C@....
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 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
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 - LAT C12 H22 O11 C([C@@H]1[....
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 - NLC C14 H25 N O11 CC(=O)N[C@....
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 - DR5 C13 H24 O11 CO[C@H]1[C....
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 - NLC C14 H25 N O11 CC(=O)N[C@....
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 - BGB C26 H48 O15 CCCCCCCCO[....
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 - BGB C26 H48 O15 CCCCCCCCO[....
86 1ZJ3 - DR2 C20 H35 N O15 C[C@H]1[C@....
87 5BXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
88 5TJL - BGA C28 H51 N O15 CCCCCCCCO[....
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 - BGA C28 H51 N O15 CCCCCCCCO[....
95 1ZJ2 - DR3 C20 H35 N O15 CC1C(C(C(C....
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 = 2.68 mM LAT C12 H22 O11 C([C@@H]1[....
3 1O7Q Kd = 0.032 mM UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
4 2VS4 - NLC C14 H25 N O11 CC(=O)N[C@....
5 1GX4 Kd = 0.58 mM GAL NAG n/a n/a
6 5NRE - LAT C12 H22 O11 C([C@@H]1[....
7 5NRB - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
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 = 2.69 mM LAT C12 H22 O11 C([C@@H]1[....
11 5NRD - GDU C15 H24 N2 O17 P2 C1=CN(C(=O....
12 1VZU - LAT C12 H22 O11 C([C@@H]1[....
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 - NLC C14 H25 N O11 CC(=O)N[C@....
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 - DR2 C20 H35 N O15 C[C@H]1[C@....
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 - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
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 - LAT C12 H22 O11 C([C@@H]1[....
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 - NLC C14 H25 N O11 CC(=O)N[C@....
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 - DR5 C13 H24 O11 CO[C@H]1[C....
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 - NLC C14 H25 N O11 CC(=O)N[C@....
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 - BGB C26 H48 O15 CCCCCCCCO[....
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 - BGB C26 H48 O15 CCCCCCCCO[....
108 1ZJ3 - DR2 C20 H35 N O15 C[C@H]1[C@....
109 5BXC - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
110 5TJL - BGA C28 H51 N O15 CCCCCCCCO[....
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 - BGA C28 H51 N O15 CCCCCCCCO[....
117 1ZJ2 - DR3 C20 H35 N O15 CC1C(C(C(C....
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
Ligand no: 1; Ligand: 1GW; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 1GW 1 1
2 4GW 0.762887 0.945946
3 2GW 0.704762 0.958904
4 UPG 0.590476 0.917808
5 UFM 0.590476 0.917808
6 GDU 0.590476 0.917808
7 GUD 0.590476 0.917808
8 C5G 0.526786 0.87013
9 5GW 0.504587 0.918919
10 DAU 0.487179 0.871795
11 USQ 0.482759 0.807229
12 UPF 0.478261 0.87013
13 UFG 0.478261 0.87013
14 U2F 0.478261 0.87013
15 IUG 0.468254 0.797619
16 UD1 0.467213 0.905405
17 UD2 0.467213 0.905405
18 UGB 0.457627 0.90411
19 UGA 0.457627 0.90411
20 EPZ 0.431818 0.893333
21 UDX 0.428571 0.891892
22 UAD 0.428571 0.891892
23 EPU 0.428571 0.906667
24 EEB 0.428571 0.881579
25 5FU 0.423077 0.820513
26 UTP 0.418182 0.864865
27 G3N 0.418033 0.868421
28 UD7 0.414062 0.88
29 HP7 0.414062 0.891892
30 MJZ 0.410853 0.868421
31 F5G 0.407692 0.88
32 GDC 0.40625 0.764706
33 GKE 0.40625 0.764706
34 GDD 0.40625 0.764706
35 UDZ 0.406015 0.814815
36 UMA 0.404255 0.893333
37 UDP 0.40367 0.864865
38 660 0.403361 0.88
39 URM 0.403361 0.88
40 5BU 0.401869 0.820513
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: 40
This union binding pocket(no: 1) in the query (biounit: 3ioi.bio1) has 40 residues
No: Leader PDB Ligand Sequence Similarity
1 1CT9 AMP 2.01342
2 5A04 BGC 2.01342
3 4GN8 ASO 2.01342
4 5NM7 GLY 2.25564
5 1OMZ UD2 2.38908
6 3ETG GTP 2.68456
7 4LHD GLY 2.68456
8 4WBD CIT 3.02013
9 4IRP UDP 3.18725
10 2B99 RDL 3.20513
11 4MIX UD1 3.3557
12 2PA4 UPG 3.69128
13 3CU0 UDP 3.91459
14 1G0C CBI 4.02685
15 4M4K GDU 4.18118
16 4M4K XYP XYP 4.18118
17 1NSA BEN 4.36242
18 1FDJ 13P 4.36242
19 6BS6 GLC GLC GLC 4.36242
20 3KP6 SAL 4.63576
21 1LL2 UPG 4.69799
22 4X17 SIA SIA 4.77941
23 3V91 UPG 4.811
24 3U2U UDP 5.32319
25 5GOP SUC 6.04027
26 4OUE IPT 6.71141
27 1V84 UDP 6.71937
28 2FKA BEF 9.30233
29 1WRA PC 9.39597
30 1O5Q PYR 9.39597
31 6FXR UDP 9.73154
32 1H5R THM 9.89761
33 1H5S TMP 9.89761
34 1H7F C5P 10.2041
35 1TKU 5RP 10.2941
36 4AVV CD 10.7843
37 3CK8 BCD 11.4094
38 1GA8 DEL 12.7517
39 1GA8 UPF 12.7517
40 2VL8 CTS 17.1141
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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