Ligand · XB1
XB1 · N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl) ethyl]thiourea
XB1, N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl) ethyl]thiourea (C17 H27 N7 O3 S2, 441.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…
- Component
- XB1
- Formula
- C17 H27 N7 O3 S2
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
XB1 in 2 structures; the first of them:
- 7KXB · Crystal structure of SARS-CoV-2 Nsp3 Macrodomain complex with PARG329 · XB1 A201 · binds ALA21, ASP22, ILE23, VAL24, ALA38, ALA39, ASN40, LYS44 and 16 more
- 7KXB · Crystal structure of SARS-cov-2 NSP3 macrodomain complex with PARG329 · XB1 A201 · binds ALA21, ASP22, ILE23, VAL24, ALA38, ALA39, ASN40, LYS44 and 16 more
Residues it binds most
ALA 2, GLY 2, ILE 2, PHE 2, VAL 2, ASN 2, ASP 2, HIS 2, LEU 2, LYS 2 (residue and the binding sites it lines).
Found with
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