Reaction Details Report a problem with these data
Target
Zinc metalloproteinase dpy-31
Ligand
BDBM50499819
Substrate
n/a
Meas. Tech.
ChEMBL_1541440 (CHEMBL3743608)
IC50
>500000±n/a nM
Citation
 France, DJ; Stepek, G; Houston, DR; Williams, L; McCormack, G; Walkinshaw, MD; Page, AP Identification and activity of inhibitors of the essential nematode-specific metalloprotease DPY-31. Bioorg Med Chem Lett 25:5752-5 (2015) [PubMed]  Article 
Target
Name:
Zinc metalloproteinase dpy-31
Synonyms:
3.4.24.- | NAS35_BRUMA | Nematode astacin 35 | Procollagen C-proteinase | Zinc metalloproteinase dpy-31 | dpy-31 | nas-35
Type:
PROTEIN
Mol. Mass.:
68969.76
Organism:
Brugia malayi
Description:
ChEMBL_116692
Residue:
599
Sequence:
MALLKPFLSRTFSSFFATITGGRNLIDSIEELITTNYWLIFVMIIVCTCSAPSNGAFFLNDPYGYPFVSLQDDSIESVSATTITTTTIISTIITTTTATQRIFQEKAKTFGQSAEEIQKVKYYLEKIQKFEAKQHPEEIRQQHTTKNSEAIKDDLQIAVEVAKFEKRQKDSITLNPEENGQYYEGDIVLDAQQAHEIYESMIQHGRRTKRKFIRSELRRWDSHKPIIYSFDGSHTIREQRVIELALEHWHNITCLNFERRDDEIQENRIVFTDVDGCASNVGRHPLGEPQFVSLAPECIRLGVIAHEVAHALGFWHEQSRPDRDNYVTVRWENIDRDSKGQFLKELPTDVDNGDVPYDYGSIMHYRSKAFGRYEDLFTLNTNIMDYQKTIGQRDQLSFNDIRLMNVIYCSDSCAQKLPCQRGGYTDPRRCGRCRCPDGFTGKLCERIMPGFGADCGGRIELTSSWKRITSPNYPRDFKEGQECSWLLVAPPGQRVQLRFYGEFEMYCKVRHSLCMDYIEIRNSTDFANTGMRYCCYGTPKSSIMSATEDMLVLFRSFYRGGKGFQAQVRALPTTVFNIRTVRSMDEFNANLNKHAVADS
  
Inhibitor
Name:
BDBM50499819
Synonyms:
CHEMBL3740244
Type:
Small organic molecule
Emp. Form.:
C37H52N5O9P
Mol. Mass.:
741.8106
SMILES:
COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CP(O)(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: