Reaction Details Report a problem with these data
Target
Peptidase 1
Ligand
BDBM50031690
Substrate
n/a
Meas. Tech.
ChEMBL_1443313 (CHEMBL3374743)
IC50
5.0±n/a nM
Citation
 Newton, GK; Perrior, TR; Jenkins, K; Major, MR; Key, RE; Stewart, MR; Firth-Clark, S; Lloyd, SM; Zhang, J; Francis-Newton, NJ; Richardson, JP; Chen, J; Lai, P; Garrod, DR; Robinson, C The discovery of potent, selective, and reversible inhibitors of the house dust mite peptidase allergen Der p 1: an innovative approach to the treatment of allergic asthma. J Med Chem 57:9447-62 (2014) [PubMed]  Article 
Target
Name:
Peptidase 1
Synonyms:
DERP1 | PEPT1_DERPT | Peptidase 1 (Der p 1)
Type:
Enzyme
Mol. Mass.:
36101.04
Organism:
Dermatophagoides pteronyssinus (European house dust mite)
Description:
P08176
Residue:
320
Sequence:
MKIVLAIASLLALSAVYARPSSIKTFEEYKKAFNKSYATFEDEEAARKNFLESVKYVQSNGGAINHLSDLSLDEFKNRFLMSAEAFEHLKTQFDLNAETNACSINGNAPAEIDLRQMRTVTPIRMQGGCGSCWAFSGVAATESAYLAYRNQSLDLAEQELVDCASQHGCHGDTIPRGIEYIQHNGVVQESYYRYVAREQSCRRPNAQRFGISNYCQIYPPNVNKIREALAQTHSAIAVIIGIKDLDAFRHYDGRTIIQRDNGYQPNYHAVNIVGYSNAQGVDYWIVRNSWDTNWGDNGYGYFAANIDLMMIEEYPYVVIL
  
Inhibitor
Name:
BDBM50031690
Synonyms:
CHEMBL3360297
Type:
Small organic molecule
Emp. Form.:
C35H50N6O6
Mol. Mass.:
650.8081
SMILES:
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2)C(=O)C(=O)NCC(=O)N1CCN(C)CC1 |r,TLB:12:22:25:29.27.28,THB:27:26:23:29.28.30,27:28:25.26.31:23,30:28:25:31.22.23,30:22:25:29.27.28|
Structure:
Search PDB for entries with ligand similarity: