Receptor
PDB id Resolution Class Description Source Keywords
5C1D 2.05 Å EC: 2.4.1.255 HUMAN OGT IN COMPLEX WITH UDP-5S-GLCNAC AND SUBSTRATE PEPTID HOMO SAPIENS O-GLCNAC TRANSFERASE INVERTING GT-B SUBSTRATE COMPLEX TRANS
Ref.: THE ACTIVE SITE OF O-GLCNAC TRANSFERASE IMPOSES CON ON SUBSTRATE SEQUENCE. NAT.STRUCT.MOL.BIOL. V. 22 744 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:1102;
A:1103;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
12V A:1101;
Valid;
none;
submit data
623.419 C17 H27 N3 O16 P2 S CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5NPR 1.85 Å EC: 2.4.1.255 THE HUMAN O-GLCNAC TRANSFERASE IN COMPLEX WITH A THIOL-LINKE BISUBSTRATE INHIBITOR HOMO SAPIENS O-GLCNAC TRANSFERASE GT-B ROSSMAN-FOLD ACTIVE SITE INHIBTRANSFERASE
Ref.: THIO-LINKED UDP-PEPTIDE CONJUGATES AS O-GLCNAC TRAN INHIBITORS. BIOCONJUG. CHEM. V. 29 1834 2018
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5C1D - 12V C17 H27 N3 O16 P2 S CC(=O)N[C@....
2 5NPR Ki = 1.3 uM ACE VAL THR PRO VAL CYS THR ALA NH2 94T n/a n/a
3 5NPS Ki = 7 uM ACY VAL THR PRO VAL SER THR ALA NH2 94T n/a n/a
4 5LWV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5C1D - 12V C17 H27 N3 O16 P2 S CC(=O)N[C@....
2 5NPR Ki = 1.3 uM ACE VAL THR PRO VAL CYS THR ALA NH2 94T n/a n/a
3 5NPS Ki = 7 uM ACY VAL THR PRO VAL SER THR ALA NH2 94T n/a n/a
4 5LWV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5C1D - 12V C17 H27 N3 O16 P2 S CC(=O)N[C@....
2 5NPR Ki = 1.3 uM ACE VAL THR PRO VAL CYS THR ALA NH2 94T n/a n/a
3 5NPS Ki = 7 uM ACY VAL THR PRO VAL SER THR ALA NH2 94T n/a n/a
4 5LWV - UDP C9 H14 N2 O12 P2 C1=CN(C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 12V; Similar ligands found: 64
No: Ligand ECFP6 Tc MDL keys Tc
1 12V 1 1
2 HWU 1 1
3 UD1 0.660377 0.943662
4 UD2 0.660377 0.943662
5 HP7 0.633027 0.929577
6 UD7 0.618182 0.916667
7 MJZ 0.612613 0.90411
8 UDM 0.611111 0.930556
9 F5P 0.607143 0.90411
10 UD4 0.607143 0.90411
11 F5G 0.607143 0.916667
12 UDZ 0.6 0.846154
13 GUD 0.592233 0.929577
14 UPG 0.592233 0.929577
15 GDU 0.592233 0.929577
16 UFM 0.592233 0.929577
17 EPZ 0.589744 0.930556
18 EEB 0.584746 0.917808
19 EPU 0.584746 0.917808
20 UGA 0.579439 0.915493
21 UGB 0.579439 0.915493
22 UDP 0.578947 0.901408
23 UTP 0.57732 0.901408
24 UAD 0.560748 0.902778
25 UPF 0.560748 0.88
26 UDX 0.560748 0.902778
27 UFG 0.560748 0.88
28 U2F 0.560748 0.88
29 UNP 0.56 0.876712
30 USQ 0.550459 0.814815
31 UMA 0.547619 0.930556
32 URM 0.54717 0.916667
33 660 0.54717 0.916667
34 3UC 0.540541 0.88
35 U22 0.534351 0.807229
36 UPU 0.533981 0.928571
37 G3N 0.531532 0.878378
38 UPP 0.523364 0.902778
39 UDH 0.523364 0.833333
40 U21 0.522727 0.82716
41 U20 0.522727 0.82716
42 U5P 0.515789 0.887324
43 U 0.515789 0.887324
44 UDP UDP 0.515152 0.873239
45 44P 0.5 0.864865
46 UAG 0.496454 0.881579
47 2KH 0.495146 0.876712
48 IUG 0.491803 0.783133
49 4RA 0.478873 0.825
50 UD0 0.472222 0.814815
51 UP5 0.472 0.822785
52 UML 0.467105 0.82716
53 Y6W 0.460177 0.88
54 4TC 0.453125 0.802469
55 U U 0.431034 0.888889
56 2QR 0.429577 0.817073
57 URI 0.425532 0.828571
58 U3P 0.415842 0.873239
59 UA3 0.415842 0.873239
60 PMP UD1 0.414966 0.804878
61 CSV 0.414634 0.893333
62 CSQ 0.414634 0.893333
63 CJB 0.412371 0.814286
64 C5G 0.411765 0.88
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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