Receptor
PDB id Resolution Class Description Source Keywords
2A8U 1.69 Å EC: 2.4.1.37 CRYSTAL STRUCTURE OF HUMAN GALACTOSYLTRANSFERASE (GTB) COMPL BETA-METHYL LACTOSIDE HOMO SAPIENS GTB BLOOD GROUP ABO(H) GLYCOSYLTRANSFERASE RETAINING TR
Ref.: DIFFERENTIAL RECOGNITION OF THE TYPE I AND II H ANT ACCEPTORS BY THE HUMAN ABO(H) BLOOD GROUP A AND B GLYCOSYLTRANSFERASES. J.BIOL.CHEM. V. 281 3625 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:406;
Invalid;
none;
submit data
35.453 Cl [Cl-]
DR5 A:2;
Valid;
none;
submit data
356.323 C13 H24 O11 CO[C@...
MN A:450;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
UDP A:1;
Valid;
none;
submit data
404.161 C9 H14 N2 O12 P2 C1=CN...
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: DR5; Similar ligands found: 223
No: Ligand ECFP6 Tc MDL keys Tc
1 DR5 1 1
2 MMA MAN 1 1
3 LAT GLA 0.723404 0.942857
4 GLA EGA 0.673077 0.944444
5 MGL SGC GLC GLC 0.666667 0.921053
6 BGC BGC SGC MGL 0.666667 0.921053
7 MGL SGC BGC BGC 0.666667 0.921053
8 VAM 0.660377 0.921053
9 DXI 0.653846 0.942857
10 BGC GLC GLC 0.653846 0.942857
11 GLC BGC BGC 0.653846 0.942857
12 CE8 0.653846 0.942857
13 B4G 0.653846 0.942857
14 BGC GLC GLC GLC GLC 0.653846 0.942857
15 GLC BGC BGC BGC BGC BGC 0.653846 0.942857
16 GLC GAL GAL 0.653846 0.942857
17 GAL GAL GAL 0.653846 0.942857
18 GLC BGC GLC 0.653846 0.942857
19 CTT 0.653846 0.942857
20 GLC GLC BGC 0.653846 0.942857
21 BMA BMA BMA BMA BMA 0.653846 0.942857
22 MAN BMA BMA BMA BMA 0.653846 0.942857
23 BMA BMA BMA BMA BMA BMA 0.653846 0.942857
24 MAN BMA BMA 0.653846 0.942857
25 MLR 0.653846 0.942857
26 BGC BGC GLC 0.653846 0.942857
27 BGC BGC BGC 0.653846 0.942857
28 BGC BGC BGC BGC 0.653846 0.942857
29 GLC BGC BGC BGC BGC 0.653846 0.942857
30 BGC BGC BGC GLC 0.653846 0.942857
31 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.653846 0.942857
32 GLC BGC BGC BGC 0.653846 0.942857
33 BGC BGC BGC BGC BGC 0.653846 0.942857
34 CEX 0.653846 0.942857
35 BGC GLC GLC GLC GLC GLC GLC 0.653846 0.942857
36 BGC GLC GLC GLC 0.653846 0.942857
37 CTR 0.653846 0.942857
38 BGC BGC BGC BGC BGC BGC 0.653846 0.942857
39 BMA BMA BMA 0.653846 0.942857
40 CE6 0.653846 0.942857
41 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.653846 0.942857
42 MAN BMA BMA BMA BMA BMA 0.653846 0.942857
43 GLA GAL BGC 0.653846 0.942857
44 BMA MAN BMA 0.653846 0.942857
45 MT7 0.653846 0.942857
46 CEY 0.653846 0.942857
47 GLC GLC GLC GLC GLC 0.653846 0.942857
48 MAN MAN BMA BMA BMA BMA 0.653846 0.942857
49 CT3 0.653846 0.942857
50 GLA GAL GLC 0.653846 0.942857
51 CE5 0.653846 0.942857
52 MTT 0.653846 0.942857
53 GLA MBG 0.653061 1
54 BGC BMA 0.64 0.942857
55 N9S 0.64 0.942857
56 GLA GLA 0.64 0.942857
57 GLA GAL 0.64 0.942857
58 GLC GAL 0.64 0.942857
59 CBI 0.64 0.942857
60 BGC GAL 0.64 0.942857
61 B2G 0.64 0.942857
62 LAT 0.64 0.942857
63 MAL 0.64 0.942857
64 CBK 0.64 0.942857
65 MAB 0.64 0.942857
66 GAL BGC 0.64 0.942857
67 LBT 0.64 0.942857
68 BMA GAL 0.64 0.942857
69 MAL EDO 0.62963 0.891892
70 GAL MBG 0.615385 1
71 MDM 0.615385 1
72 M13 0.615385 1
73 GLA GAL BGC 5VQ 0.614035 0.894737
74 GYP 0.613636 0.914286
75 AMG 0.613636 0.914286
76 MMA 0.613636 0.914286
77 MBG 0.613636 0.914286
78 GTM BGC BGC 0.603175 0.921053
79 A2G MBG 0.6 0.744681
80 MBG A2G 0.6 0.744681
81 BQZ 0.583333 0.857143
82 GLA GAL GLC NBU 0.583333 0.85
83 GLC SGC SGC MGL 0.567164 0.921053
84 UMQ 0.564516 0.790698
85 GLC GLC XYP 0.564516 0.942857
86 LMT 0.564516 0.790698
87 LMU 0.564516 0.790698
88 DMU 0.564516 0.790698
89 G2F BGC BGC BGC BGC BGC 0.557377 0.825
90 BGC BGC BGC BGC BGC BGC BGC BGC 0.557377 0.942857
91 TRE 0.555556 0.942857
92 MVP 0.551724 0.702128
93 BGC BGC BGC FRU 0.548387 0.825
94 GLA GAL GAL 0.542373 0.942857
95 G3I 0.539683 0.733333
96 OXZ BGC BGC 0.539683 0.66
97 G2I 0.539683 0.733333
98 U63 0.535714 0.846154
99 SOR GLC GLC 0.53125 0.916667
100 2M4 0.528302 0.942857
101 GLC GLC XYS 0.523077 0.916667
102 NPJ 0.522388 0.6
103 M3M 0.518519 0.942857
104 LB2 0.518519 0.942857
105 MAN GLC 0.518519 0.942857
106 NGR 0.518519 0.942857
107 BMA BMA 0.517857 0.864865
108 BGC BGC 0.517857 0.864865
109 BMA BMA GLA BMA BMA 0.515152 0.942857
110 GLO GLC GLC GLC 0.515152 0.916667
111 6UZ 0.515152 0.804878
112 SOR GLC GLC GLC 0.515152 0.916667
113 GAL FUC 0.508772 0.942857
114 8VZ 0.508197 0.68
115 GAL NDG 0.508197 0.73913
116 NDG GAL 0.508197 0.73913
117 GAL MGC 0.508197 0.744681
118 NLC 0.508197 0.73913
119 MAN MMA MAN 0.507937 1
120 RCB 0.507246 0.6
121 GLC GLC GLC BGC 0.5 0.942857
122 DOM 0.491228 0.891892
123 GAL BGC NAG GAL 0.486111 0.73913
124 GLO GLC GLC 0.485714 0.891892
125 10M 0.485294 0.73913
126 4MU BGC BGC 0.48 0.772727
127 CM5 0.478873 0.846154
128 5QP 0.474576 0.837838
129 BGC BGC BGC GLC BGC BGC 0.474576 0.942857
130 GLC BGC BGC BGC BGC BGC BGC 0.474576 0.942857
131 RZM 0.473684 0.659574
132 MAN MMA 0.473684 1
133 4MU BGC BGC BGC BGC 0.473684 0.772727
134 MA4 0.472222 0.846154
135 GAL NAG MAN 0.471429 0.73913
136 LSE 0.470588 0.729167
137 MAN MAN BMA 0.466667 0.942857
138 GLF B8D 0.466667 0.825
139 BMA BMA MAN 0.466667 0.942857
140 IFM BMA 0.466667 0.680851
141 BMA IFM 0.466667 0.680851
142 IFM BGC 0.466667 0.680851
143 FUC BGC GAL 0.461538 0.971429
144 NAG BMA 0.461538 0.66
145 ABD 0.460526 0.755556
146 BMA MAN MAN MAN 0.460317 0.942857
147 GLC DMJ 0.459016 0.666667
148 MAN MNM 0.459016 0.673469
149 NOY BGC 0.459016 0.673469
150 FMO 0.459016 0.825
151 WZ3 0.457143 0.972222
152 NGA GAL BGC 0.457143 0.73913
153 GAL NGA GLA BGC GAL 0.454545 0.73913
154 XYT 0.453125 0.733333
155 ABL 0.451613 0.673469
156 MAG FUC GAL 0.450704 0.729167
157 BMA FRU 0.45 0.8
158 FRU GAL 0.45 0.8
159 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.447368 0.891892
160 GLC GAL NAG GAL 0.447368 0.73913
161 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.447368 0.891892
162 LAT NAG GAL 0.447368 0.73913
163 BGC BGC BGC XYS BGC BGC 0.447368 0.891892
164 GLA GAL NAG 0.442857 0.73913
165 GLA MMA ABE 0.442857 0.921053
166 MAN BMA NAG 0.442857 0.73913
167 BGC OXZ 0.442623 0.64
168 9MR 0.442623 0.711111
169 ISX 0.442623 0.727273
170 GTM BGC BGC GDA 0.44 0.744681
171 GAL NAG GAL GLC 0.44 0.73913
172 BGC GAL NAG GAL 0.44 0.73913
173 BMA BMA BMA BMA 0.439394 0.888889
174 BGC GLA GAL FUC 0.438356 0.971429
175 GAL NGA 0.4375 0.73913
176 A2G GAL 0.4375 0.73913
177 GAL A2G 0.4375 0.73913
178 NOJ GLC 0.435484 0.666667
179 NAG GAL GAL NAG GAL 0.434211 0.693878
180 MAN BMA MAN 0.430769 0.942857
181 NAG BMA MAN MAN MAN MAN MAN 0.428571 0.921053
182 CGC 0.428571 0.888889
183 BGC BGC BGC XYS GAL 0.428571 0.891892
184 GAL NAG GAL 0.426667 0.708333
185 GLC GAL FUC 0.426471 0.971429
186 LAT FUC 0.426471 0.971429
187 FUC GAL GLC 0.426471 0.971429
188 8B7 0.426471 0.971429
189 GAL NGT 0.426471 0.666667
190 BGC GAL FUC 0.426471 0.971429
191 NGT GAL 0.426471 0.666667
192 MAN DGO 0.42623 0.864865
193 GAL BGC BGC XYS 0.424658 0.891892
194 GLA GAL FUC 0.424242 0.971429
195 FUC GLA GLA 0.424242 0.971429
196 FUC GAL GLA 0.424242 0.971429
197 GLA GLA FUC 0.424242 0.971429
198 GAL GAL FUC 0.424242 0.971429
199 T6P 0.423729 0.733333
200 NGA GLA GAL BGC 0.423077 0.73913
201 MAN G63 0.421875 0.627451
202 GDQ GLC 0.421875 0.64
203 NAG NDG BMA 0.421053 0.641509
204 NAG NAG BMA 0.421053 0.641509
205 GAL GAL SO4 0.41791 0.634615
206 GLC GLC G6D ACI GLC GLC GLC 0.416667 0.73913
207 QV4 0.416667 0.73913
208 MAN 7D1 0.416667 0.842105
209 GAL NAG GAL NAG GAL NAG 0.415584 0.68
210 NAG GAL GAL NAG 0.415584 0.693878
211 BGC BGC XYS BGC 0.413333 0.891892
212 MAN MAN MAN GLC 0.411765 0.942857
213 XZZ BGC BGC 0.409639 0.673469
214 LAT SPH DAO 0.406977 0.618182
215 LAT SPH OLA 0.406977 0.618182
216 GLC 7LQ 0.40625 0.837838
217 BTU 0.403226 0.8
218 TUR 0.403226 0.8
219 GLC FRU 0.403226 0.8
220 GLC G6D ACI GLC 0.402439 0.73913
221 GLC ACI G6D BGC 0.402439 0.73913
222 GLC G6D ADH GLC 0.402439 0.73913
223 GLC ACI GLD GLC 0.402439 0.73913
Ligand no: 2; Ligand: UDP; Similar ligands found: 117
No: Ligand ECFP6 Tc MDL keys Tc
1 UDP 1 1
2 UTP 0.892308 1
3 UNP 0.8 0.970149
4 U5P 0.78125 0.984615
5 U 0.78125 0.984615
6 UPU 0.72973 0.940298
7 2KH 0.722222 0.970149
8 44P 0.720588 0.955882
9 UFM 0.717949 0.941176
10 GDU 0.717949 0.941176
11 URM 0.717949 0.927536
12 660 0.717949 0.927536
13 UPG 0.717949 0.941176
14 GUD 0.717949 0.941176
15 UDP UDP 0.714286 0.939394
16 UPP 0.705128 0.941176
17 UDH 0.705128 0.864865
18 U2F 0.691358 0.888889
19 UFG 0.691358 0.888889
20 UPF 0.691358 0.888889
21 UAD 0.670732 0.941176
22 UDX 0.670732 0.941176
23 3UC 0.658824 0.888889
24 USQ 0.654762 0.820513
25 UGB 0.654762 0.955224
26 UGA 0.654762 0.955224
27 G3N 0.647059 0.914286
28 UDM 0.636364 0.914286
29 URI 0.625 0.863636
30 UD1 0.622222 0.927536
31 UD2 0.622222 0.927536
32 Y6W 0.607143 0.888889
33 CDP 0.605263 0.942029
34 HP7 0.591398 0.941176
35 UD7 0.591398 0.927536
36 MJZ 0.585106 0.914286
37 IUG 0.583333 0.810127
38 F5G 0.578947 0.927536
39 12V 0.578947 0.901408
40 HWU 0.578947 0.901408
41 F5P 0.578947 0.914286
42 UD4 0.578947 0.914286
43 CJB 0.573529 0.820895
44 UDZ 0.571429 0.853333
45 DUD 0.571429 0.913043
46 UP5 0.571429 0.853333
47 U U 0.563218 0.955224
48 EPZ 0.56 0.914286
49 5GW 0.559524 0.942029
50 EPU 0.554455 0.901408
51 EEB 0.554455 0.901408
52 U3P 0.547945 0.939394
53 UA3 0.547945 0.939394
54 4TC 0.544554 0.831169
55 HF4 0.54321 0.942029
56 CTP 0.54321 0.942029
57 CSQ 0.531915 0.851351
58 CSV 0.531915 0.851351
59 DUT 0.52439 0.913043
60 4GW 0.516484 0.915493
61 UMA 0.513761 0.914286
62 U4S 0.513158 0.753425
63 U2P 0.506667 0.954545
64 U2S 0.5 0.767123
65 U3S 0.5 0.753425
66 PUP 0.48913 0.913043
67 U21 0.486957 0.810127
68 U20 0.486957 0.810127
69 U22 0.486957 0.790123
70 DKX 0.486486 0.746479
71 U1S 0.482759 0.75
72 A U 0.481132 0.805195
73 2QR 0.478632 0.822785
74 5FU 0.474359 0.914286
75 G U 0.472222 0.7875
76 8OD 0.47191 0.851351
77 C5G 0.468085 0.888889
78 7XL 0.465909 0.888889
79 U U U U 0.461538 0.940298
80 UMF 0.461538 0.857143
81 G8D 0.460674 0.855263
82 UTP U U U 0.456522 0.895522
83 2TU 0.452055 0.774648
84 4RA 0.451613 0.855263
85 C2G 0.450549 0.901408
86 DU 0.45 0.898551
87 UMP 0.45 0.898551
88 C 0.45 0.927536
89 CAR 0.45 0.927536
90 C5P 0.45 0.927536
91 UAG 0.448 0.864865
92 CDC 0.446809 0.777778
93 5BU 0.444444 0.914286
94 UD0 0.444444 0.844156
95 N3E 0.440476 0.733333
96 UC5 0.440476 0.9
97 UUA 0.438356 0.772727
98 DUP 0.431818 0.887324
99 2GW 0.431373 0.901408
100 M7G 0.430108 0.780488
101 CNU 0.428571 0.927536
102 CDM 0.427083 0.842105
103 H6Y 0.425532 0.851351
104 16B 0.421687 0.888889
105 S5P 0.419753 0.915493
106 8GT 0.419355 0.855263
107 CXY 0.418367 0.888889
108 UPA 0.418182 0.842105
109 U2G 0.410714 0.822785
110 U A A U 0.409836 0.842105
111 UML 0.408759 0.810127
112 UP6 0.407407 0.871429
113 M7M 0.40625 0.771084
114 1GW 0.40367 0.864865
115 BMP 0.402439 0.970149
116 APU 0.401786 0.828947
117 PMP UD1 0.401575 0.7875
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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