Ligand · C1A
C1A · (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate)
C1A, (2,5-dimethylbenzene-1,4-diyl)dimethanediyl bis(N-carbamimidoylcarbamimidothioate) (C14 H22 N8 S2, 366.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…
- Component
- C1A
- Formula
- C14 H22 N8 S2
- Class
- ligand
- Structures
- 2
- PDB entries
- 1
Binding sites
C1A in 2 structures; the first of them:
- 2ANQ · Crystal Structure of E.coli DHFR in complex with NADPH and the inhibitor compound 10a. · C1A A500 · binds ILE5, ALA6, ALA7, ASN18, ALA19, MET20, ASP27, LEU28 and 7 more
- 2ANQ · Crystal structure of E.COLI DHFR in complex with NADPH and the inhibitor compound 10A. · C1A A500 · binds ILE5, ALA6, ALA7, ASN18, ALA19, MET20, ASP27, LEU28 and 7 more
Residues it binds most
ALA 2, ILE 2, THR 2, ASN 2, ASP 2, LEU 2, MET 2, PHE 2, SER 2, TYR 2 (residue and the binding sites it lines).
Found with
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