Reaction Details Report a problem with these data
Target
Presequence protease, mitochondrial (PREP)
Ligand
BDBM514515
Substrate
n/a
Meas. Tech.
In Vitro Inhibition Assay
IC50
15.0±n/a nM
Citation
 Bachovchin, WW; Lai, H; Wu, W Dash inhibitors, and uses related thereto US Patent  US11583516 Publication Date 2/21/2023 
Target
Name:
Presequence protease, mitochondrial
Synonyms:
KIAA1104 | MP1 | Metalloprotease 1 | PITRM1 | PREP | PREP_HUMAN | Pitrilysin metalloproteinase 1 | hMP1 | hPreP
Type:
PROTEIN
Mol. Mass.:
117419.85
Organism:
Homo sapiens (Human)
Description:
ChEMBL_108043
Residue:
1037
Sequence:
MWRCGGRQGLCVLRRLSGGHAHHRAWRWNSNRACERALQYKLGDKIHGFTVNQVTSVPELFLTAVKLTHDDTGARYLHLAREDTNNLFSVQFRTTPMDSTGVPHILEHTVLCGSQKYPCRDPFFKMLNRSLSTFMNAFTASDYTLYPFSTQNPKDFQNLLSVYLDATFFPCLRELDFWQEGWRLEHENPSDPQTPLVFKGVVFNEMKGAFTDNERIFSQHLQNRLLPDHTYSVVSGGDPLCIPELTWEQLKQFHATHYHPSNARFFTYGNFPLEQHLKQIHEEALSKFQKIEPSTVVPAQTPWDKPREFQITCGPDSFATDPSKQTTISVSFLLPDITDTFEAFTLSLLSSLLTSGPNSPFYKALIESGLGTDFSPDVGYNGYTREAYFSVGLQGIAEKDIETVRSLIDRTIDEVVEKGFEDDRIEALLHKIEIQMKHQSTSFGLMLTSYIASCWNHDGDPVELLKLGNQLAKFRQCLQENPKFLQEKVKQYFKNNQHKLTLSMRPDDKYHEKQAQVEATKLKQKVEALSPGDRQQIYEKGLELRSQQSKPQDASCLPALKVSDIEPTIPVTELDVVLTAGDIPVQYCAQPTNGMVYFRAFSSLNTLPEELRPYVPLFCSVLTKLGCGLLDYREQAQQIELKTGGMSASPHVLPDDSHMDTYEQGVLFSSLCLDRNLPDMMQLWSEIFNNPCFEEEEHFKVLVKMTAQELANGIPDSGHLYASIRAGRTLTPAGDLQETFSGMDQVRLMKRIAEMTDIKPILRKLPRIKKHLLNGDNMRCSVNATPQQMPQTEKAVEDFLRSIGRSKKERRPVRPHTVEKPVPSSSGGDAHVPHGSQVIRKLVMEPTFKPWQMKTHFLMPFPVNYVGECIRTVPYTDPDHASLKILARLMTAKFLHTEIREKGGAYGGGAKLSHNGIFTLYSYRDPNTIETLQSFGKAVDWAKSGKFTQQDIDEAKLSVFSTVDAPVAPSDKGMDHFLYGLSDEMKQAHREQLFAVSHDKLLAVSDRYLGTGKSTHGLAILGPENPKIAKDPSWIIQ
  
Inhibitor
Name:
BDBM514515
Synonyms:
US11096924, DASH-inhibitors 3102 C | US11583516, Cmpd ID 3102C
Type:
Small organic molecule
Emp. Form.:
C16H26BClN2O3
Mol. Mass.:
340.653
SMILES:
N[C@H](C(=O)N1CCC[C@H]1B(O)O)C12CC3CC(CC(Cl)(C3)C1)C2 |r,TLB:1:12:20:16.15.17,22:12:20:16.15.17,15:16:21:20.14.13,THB:22:16:20:21.12.13,15:14:21:16.22.17|
Structure:
Search PDB for entries with ligand similarity: