Receptor
PDB id Resolution Class Description Source Keywords
2RJ6 1.41 Å EC: 2.4.1.37 B-SPECIFIC ALPHA-1,3-GALACTOSYLTRANSFERASE G176R S235G MUTAN H-ANTIGEN DISACCHARIDE HOMO SAPIENS AABB+HA BLOOD GROUP ANTIGEN GLYCOPROTEIN GLYCOSYLTRANSFERGOLGI APPARATUS MANGANESE MEMBRANE METAL-BINDING SECRETSIGNAL-ANCHOR TRANSFERASE TRANSMEMBRANE
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 - 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: BHE; Similar ligands found: 55
No: Ligand ECFP6 Tc MDL keys Tc
1 BHE 1 1
2 4YA 0.933333 1
3 AOG FUC 0.714286 0.826923
4 HSH GLA FUC 0.671233 1
5 AIG FUC 0.661972 0.826923
6 DA8 0.592105 0.954545
7 HSH A2G FUC 0.576471 0.781818
8 LMT 0.561644 0.976744
9 UMQ 0.561644 0.976744
10 DMU 0.561644 0.976744
11 LMU 0.561644 0.976744
12 AFO 0.546875 0.844444
13 BOG 0.545455 0.930233
14 HSJ 0.545455 0.930233
15 BNG 0.545455 0.930233
16 BHG FUC 0.545455 0.954545
17 GLC GAL BGC FUC 0.540541 0.790698
18 BGC GAL FUC 0.540541 0.790698
19 NAG NON FUC GAL FUC 0.532609 0.719298
20 KGM 0.530303 0.930233
21 B7G 0.530303 0.930233
22 OPM MAN MAN 0.5 0.953488
23 NAG GAL FUC A2G 0.493827 0.648148
24 XYS GAL FUC 0.493671 0.772727
25 JZR 0.492537 0.906977
26 BHG 0.492537 0.906977
27 HEX GLC 0.492537 0.906977
28 MAG GAL FUC FUC 0.47619 0.625
29 MAG FUC GAL FUC 0.47619 0.625
30 NAG GAL FUC FUC 0.47619 0.636364
31 NDG FUC GAL FUC 0.47619 0.636364
32 NAG GAL FUC 0.46988 0.648148
33 L6T 0.467532 0.954545
34 NDG GAL FUC FUC 0.465116 0.614035
35 GLC BGC FUC GAL 0.454545 0.790698
36 BGC FUC GAL 0.454545 0.790698
37 AD7 0.452381 0.826923
38 BGL 0.450704 0.930233
39 CQX 0.447368 0.909091
40 GAL FUC GAL 0.441558 0.790698
41 GLC NBU GAL GLA 0.435897 0.906977
42 GLA NAG GAL FUC 0.433333 0.648148
43 GAL NAG GAL FUC FUC 0.430108 0.636364
44 10M 0.421687 0.913043
45 MBG GLA 0.42029 0.772727
46 GAL NAG GAL FUC 0.419355 0.654545
47 BGC GAL FUC GLA 0.418605 0.790698
48 NAG FUC GAL 0.411765 0.648148
49 BMA MAN MAN MAN 0.411765 0.795455
50 6UZ 0.409639 0.822222
51 BGC GAL NAG GAL FUC 0.408163 0.648148
52 DEG 0.405797 0.837209
53 GAL FUC 0.405405 0.790698
54 XNS 0.405063 0.844444
55 DR4 0.405063 0.844444
Similar Ligands (3D)
Ligand no: 1; Ligand: BHE; Similar ligands found: 1
No: Ligand Similarity coefficient
1 DLG FUC 0.9397
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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