Reaction Details Report a problem with these data
Target
Proprotein convertase subtilisin/kexin type 9
Ligand
BDBM537765
Substrate
n/a
Meas. Tech.
SPR Assay
Kd
11000±n/a nM
Citation
 Serrano-Wu, MH; Hubbard, BK; Kaushik, V; Daniels, D PCSK9 inhibitors and methods of use thereof US Patent  US11603523 Publication Date 3/14/2023 
Target
Name:
Proprotein convertase subtilisin/kexin type 9
Synonyms:
NARC-1 | NARC1 | Neural apoptosis-regulated convertase 1 | PC9 | PCSK9 | PCSK9_HUMAN | Proprotein convertase 9 | Proprotein convertase subtilisin/kexin type 9 | Proprotein convertase subtilisin/kexin type 9 (PCSK9) | Subtilisin/kexin type 9 | Subtilisin/kexin-like protease PC9
Type:
Enzyme
Mol. Mass.:
74286.93
Organism:
Homo sapiens (Human)
Description:
Q8NBP7
Residue:
692
Sequence:
MGTVSSRRSWWPLPLLLLLLLLLGPAGARAQEDEDGDYEELVLALRSEEDGLAEAPEHGTTATFHRCAKDPWRLPGTYVVVLKEETHLSQSERTARRLQAQAARRGYLTKILHVFHGLLPGFLVKMSGDLLELALKLPHVDYIEEDSSVFAQSIPWNLERITPPRYRADEYQPPDGGSLVEVYLLDTSIQSDHREIEGRVMVTDFENVPEEDGTRFHRQASKCDSHGTHLAGVVSGRDAGVAKGASMRSLRVLNCQGKGTVSGTLIGLEFIRKSQLVQPVGPLVVLLPLAGGYSRVLNAACQRLARAGVVLVTAAGNFRDDACLYSPASAPEVITVGATNAQDQPVTLGTLGTNFGRCVDLFAPGEDIIGASSDCSTCFVSQSGTSQAAAHVAGIAAMMLSAEPELTLAELRQRLIHFSAKDVINEAWFPEDQRVLTPNLVAALPPSTHGAGWQLFCRTVWSAHSGPTRMATAVARCAPDEELLSCSSFSRSGKRRGERMEAQGGKLVCRAHNAFGGEGVYAIARCCLLPQANCSVHTAPPAEASMGTRVHCHQQGHVLTGCSSHWEVEDLGTHKPPVLRPRGQPNQCVGHREASIHASCCHAPGLECKVKEHGIPAPQEQVTVACEEGWTLTGCSALPGTSHVLGAYAVDNTCVVRSRDVSTTGSTSEGAVTAVAICCRSRHLAQASQELQ
  
Inhibitor
Name:
BDBM537765
Synonyms:
US11248001, Example 172 | US11603523, Example 172
Type:
Small organic molecule
Emp. Form.:
C17H17N5O2S2
Mol. Mass.:
387.479
SMILES:
CSc1cnc(N[C@H]2C[C@@H](C2)Nc2nc3ccc(cc3s2)C(O)=O)nc1 |r,wU:9.11,wD:7.6,(-9.42,-2.77,;-8.09,-3.54,;-6.75,-2.77,;-6.75,-1.23,;-5.42,-.46,;-4.09,-1.23,;-2.75,-.46,;-1.42,-1.23,;-1.02,-2.71,;.47,-2.32,;.07,-.83,;1.8,-3.09,;3.13,-2.32,;4.54,-2.94,;5.57,-1.8,;7.11,-1.8,;7.88,-.46,;7.11,.87,;5.57,.87,;4.8,-.46,;3.3,-.78,;7.88,2.2,;9.42,2.2,;7.11,3.54,;-4.09,-2.77,;-5.42,-3.54,)|
Structure:
Search PDB for entries with ligand similarity: