Receptor
PDB id Resolution Class Description Source Keywords
2RIY 1.55 Å EC: 2.4.1.37 B-SPECIFIC-1,3-GALACTOSYLTRANSFERASE (GTB)+H-ANTIGEN ACCEPTO HOMO SAPIENS GTB ABO ROSSMAN FOLD BBBB UNLIGANDED BLOOD GROUP ANTIGEN GLYCOPROTEIN GLYCOSYLTRANSFERASE GOLGI APPARATUS MANGANEMEMBRANE METAL-BINDING SECRETED SIGNAL-ANCHOR TRANSFERATRANSMEMBRANE
Ref.: ABO(H) BLOOD GROUP A AND B GLYCOSYLTRANSFERASES REC SUBSTRATE VIA SPECIFIC CONFORMATIONAL CHANGES. J.BIOL.CHEM. V. 283 10097 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BHE A:452;
Valid;
none;
submit data
438.51 C20 H38 O10 CCCCC...
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: BHE; Similar ligands found: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 BHE 1 1
2 4YA 0.933333 1
3 FUC BHG 0.933333 1
4 BHG FUC 0.933333 1
5 BGB 0.722222 1
6 AOG FUC 0.714286 0.826923
7 AIG FUC 0.661972 0.826923
8 BGA 0.619048 0.781818
9 DA8 0.592105 0.954545
10 LMU 0.561644 0.976744
11 DMU 0.561644 0.976744
12 UMQ 0.561644 0.976744
13 LMT 0.561644 0.976744
14 AFO 0.546875 0.844444
15 BNG 0.545455 0.930233
16 HSJ 0.545455 0.930233
17 BOG 0.545455 0.930233
18 DLG FUC 0.545455 0.954545
19 8B7 0.540541 0.790698
20 LAT FUC 0.540541 0.790698
21 FUC GAL GLC 0.540541 0.790698
22 BGC GAL FUC 0.540541 0.790698
23 GLC GAL FUC 0.540541 0.790698
24 FUC GAL NAG NON FUC 0.532609 0.719298
25 B7G 0.530303 0.930233
26 KGM 0.530303 0.930233
27 OPM MAN MAN 0.5 0.953488
28 NDG GAL FUC 0.493827 0.648148
29 NAG GAL FUC 0.493827 0.648148
30 FUC GAL NDG 0.493827 0.648148
31 GAL NAG FUC 0.493827 0.648148
32 DR2 0.493827 0.648148
33 FUC GAL NAG 0.493827 0.648148
34 FUL GAL NAG 0.493827 0.648148
35 XYS GAL FUC 0.493671 0.772727
36 FUC GAL 0.492754 0.767442
37 JZR 0.492537 0.906977
38 GLC HEX 0.492537 0.906977
39 BHG 0.492537 0.906977
40 BCW 0.47619 0.636364
41 GAL NAG FUC FUC 0.47619 0.636364
42 FUC NAG GAL FUC 0.47619 0.636364
43 FUC GAL NAG FUC 0.47619 0.636364
44 FUC NDG GAL FUC 0.47619 0.636364
45 BDZ 0.47619 0.636364
46 GAL NDG FUC FUC 0.47619 0.636364
47 FUC GAL NDG FUC 0.47619 0.636364
48 DR3 0.46988 0.648148
49 FUC BGC GAL 0.454545 0.790698
50 AD7 0.452381 0.826923
51 BGL 0.450704 0.930233
52 FUC GLA GLA 0.441558 0.790698
53 GLA GAL FUC 0.441558 0.790698
54 GLA GLA FUC 0.441558 0.790698
55 FUC GAL GLA 0.441558 0.790698
56 GAL GAL FUC 0.441558 0.790698
57 GLA GAL GLC NBU 0.435897 0.906977
58 FUC GAL NAG GAL FUC 0.430108 0.636364
59 10M 0.421687 0.913043
60 GLA MBG 0.42029 0.772727
61 BGC GLA GAL FUC 0.418605 0.790698
62 MAG FUC GAL 0.411765 0.625
63 GAL NDG FUC 0.411765 0.648148
64 FUC NDG GAL 0.411765 0.648148
65 6UZ 0.409639 0.822222
66 FUC GAL NAG GAL BGC 0.408163 0.648148
67 GLC NAG GAL GAL FUC 0.408163 0.648148
68 GAL GLC NAG GAL FUC 0.408163 0.648148
69 DEG 0.405797 0.837209
70 DR4 0.405063 0.844444
71 NAG FUC 0.405063 0.611111
72 XNS 0.405063 0.844444
73 FUC NAG 0.402439 0.642857
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
APoc FAQ
Feedback