Ligand · BBJ
BBJ · N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide
BBJ, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide (C11 H13 Br F N7 O4 S, 438.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding…
- Component
- BBJ
- Formula
- C11 H13 Br F N7 O4 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 4
Binding sites
BBJ in 4 structures; the first of them:
- 5WN8 · Structural insights into substrate and inhibitor binding sites in human indoleamine… · BBJ A502 · binds TYR126, CYS129, VAL130, PHE163, PHE164, SER167, PHE226, ARG231 and 6 more
- 6E40 · Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complexed with ferric… · BBJ A502 · binds TYR126, CYS129, VAL130, PHE163, PHE164, SER167, PHE226, ARG231 and 8 more
- 6IC2 · Polypharmacology of epacadostat: a potent and selective inhibitor of the tumor associated… · BBJ A302 · binds ILE91, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131 and 5 more
- 6VKG · Human carbonic anhydrase IX mimic with epacadostat bound · BBJ A302 · binds GLN67, LEU91, GLN92, HIS94, HIS96, HIS119, VAL121, VAL131 and 7 more
Residues it binds most
PHE 6, LEU 7, SER 5, HIS 5, VAL 7, GLY 5, ILE 6, ALA 5, ARG 5, CYS 5 (residue and the binding sites it lines).
Found with
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