Reaction Details Report a problem with these data
Target
Endochitinase B1
Ligand
BDBM50257243
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
5.5±0
IC50
1.2e+4± 1e+3 nM
Citation
 Andersen, OA; Nathubhai, A; Dixon, MJ; Eggleston, IM; van Aalten, DM Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin. Chem Biol 15:295-301 (2008) [PubMed]  Article 
Target
Name:
Endochitinase B1
Synonyms:
AfChiB1 | CHIB1_ASPFM | Chitinase B1 | Class V chitinase ChiB1 | chiB1
Type:
Enzyme
Mol. Mass.:
47612.97
Organism:
Aspergillus fumigatus
Description:
Q873X9
Residue:
433
Sequence:
MRFATSTIVKVALLLSSLCVDAAVMWNRDTSSTDLEARASSGYRSVVYFVNWAIYGRNHNPQDLPVERLTHVLYAFANVRPETGEVYMTDSWADIEKHYPGDSWSDTGNNVYGCIKQLYLLKKQNRNLKVLLSIGGWTYSPNFAPAASTDAGRKNFAKTAVKLLQDLGFDGLDIDWEYPENDQQANDFVLLLKEVRTALDSYSAANAGGQHFLLTVASPAGPDKIKVLHLKDMDQQLDFWNLMAYDYAGSFSSLSGHQANVYNDTSNPLSTPFNTQTALDLYRAGGVPANKIVLGMPLYGRSFANTDGPGKPYNGVGQGSWENGVWDYKALPQAGATEHVLPDIMASYSYDATNKFLISYDNPQVANLKSGYIKSLGLGGAMWWDSSSDKTGSDSLITTVVNALGGTGVFEQSQNELDYPVSQYDNLRNGMQT
  
Inhibitor
Name:
BDBM50257243
Synonyms:
(2S)-2-[[(2S)-2-acetamido-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanoyl]-methyl-amino]-3-phenyl-propanoic acid | CHEMBL493316 | Dipeptide | N-Ac-Arg{N-omega-(N-methylcarbanoyl)}-N-methyl-Phe-OH | N-acetyl-Arg{N(omega)-(N-methylcarbamoyl)}-N-methyl-Phe
Type:
Small organic molecule
Emp. Form.:
C20H30N6O5
Mol. Mass.:
434.4894
SMILES:
CNC(=O)NC(N)=NCCC[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(O)=O |r,w:7.7|
Structure:
Search PDB for entries with ligand similarity: