Ligand · C3A
C3A · Allyl {(1S)-1-[(5-{4-[(2,3-dihydro-1H-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate
C3A, Allyl {(1S)-1-[(5-{4-[(2,3-dihydro-1H-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate (C31 H35 N5 O5, 557.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…
- Component
- C3A
- Formula
- C31 H35 N5 O5
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
C3A in 4 structures; the first of them:
- 2FS8 · Human beta-tryptase II with inhibitor CRA-29382 · C3A A999 · binds VAL35, PHE41, CYS42, HIS57, CYS58, VAL59, LYS60D, ASP60E and 18 more
- 2FXR · human beta tryptase II complexed with activated ketone inhibitor CRA-29382 · C3A A999 · binds VAL35, PHE41, CYS42, HIS57, CYS58, LYS60D, ASP60E, ALA63 and 18 more
- 2FS8 · Human beta-tryptase II with inhibitor cra-29382 · C3A A999 · binds VAL35, PHE41, CYS42, HIS57, CYS58, VAL59, LYS60D, ASP60E and 18 more
- 2FXR · Human beta tryptase II complexed with activated ketone inhibitor cra- 29382 · C3A A999 · binds VAL35, PHE41, CYS42, HIS57, CYS58, LYS60D, ASP60E, ALA63 and 18 more
Residues it binds most
GLY 16, CYS 16, ASP 16, SER 16, VAL 16, ALA 16, GLN 16, HIS 16, LEU 16, LYS 16 (residue and the binding sites it lines).
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