Receptor
PDB id Resolution Class Description Source Keywords
5NPS 1.68 Å EC: 2.4.1.255 THE HUMAN O-GLCNAC TRANSFERASE IN COMPLEX WITH A BISUBSTRATE HOMO SAPIENS O-GLCNAC TRANSFERASE GT-B GT41 ROSSMAN-FOLD ACTIVE SITEINHIBITOR TRANSFERASE
Ref.: THIO-LINKED UDP-PEPTIDE CONJUGATES AS O-GLCNAC TRAN INHIBITORS. BIOCONJUG. CHEM. V. 29 1834 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACY VAL THR PRO VAL SER THR ALA NH2 94T D:1;
Valid;
none;
Ki = 7 uM
1159.04 n/a P(=O)...
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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: ACY VAL THR PRO VAL SER THR ALA NH2 94T; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 ACY VAL THR PRO VAL SER THR ALA NH2 94T 1 1
2 ACE VAL THR PRO VAL CYS THR ALA NH2 94T 0.727811 0.987342
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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