Ligand · 4CV

4CV · 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide

4CV, 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide (C17 H19 Br N6 O3 S, 467.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component: 4CV
Formula: C17 H19 Br N6 O3 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

4CV in 2 structures; the first of them:

4YFF · TNNI3K complexed with inhibitor 2 · 4CV A801 · binds ILE469, GLY470, VAL477, ALA488, ILE489, LYS490, GLU509, ILE522 and 11 more
4YFF · TNNI3K complexed with inhibitor 2 · 4CV A801 · binds ILE469, GLY470, VAL477, ALA488, ILE489, LYS490, GLU509, ILE522 and 11 more

Residues it binds most

ILE 8, ALA 8, GLY 8, ASN 8, ASP 8, GLN 8, GLU 8, HIS 8, LEU 8, LYS 8 (residue and the binding sites it lines).

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