Reaction Details Report a problem with these data
Target
Proprotein convertase subtilisin/kexin type 9/Low-density lipoprotein receptor
Ligand
BDBM586440
Substrate
n/a
Meas. Tech.
Alexa Fret
IC50
50±n/a nM
Citation
 Ricardo, A; Tucker, TJ; Boyer, NC; Stringer, JR; LaPlaca, DM; Kerekes, AD; Wu, C; Ha, SN; Youm, H; Embrey, MW; Bianchi, E; Branca, D; Ingenito, R; Costantini, W; Santoprete, A; Costante, R; Conte, I; Colarusso, S; Gilbert, EJ; Shahripour, A; Xiong, Y Cyclic polypeptides for PCSK9 inhibition US Patent  US11530244 Publication Date 12/20/2022 
Target
Name:
Proprotein convertase subtilisin/kexin type 9/Low-density lipoprotein receptor
Synonyms:
Human PCSK9 / LDLR complex
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
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
  
Component 2
Name:
Low-density lipoprotein receptor
Synonyms:
LDL receptor | LDLR | LDLR_HUMAN | Low-density lipoprotein receptor
Type:
PROTEIN
Mol. Mass.:
95343.42
Organism:
Homo sapiens (Human)
Description:
ChEMBL_99545
Residue:
860
Sequence:
MGPWGWKLRWTVALLLAAAGTAVGDRCERNEFQCQDGKCISYKWVCDGSAECQDGSDESQETCLSVTCKSGDFSCGGRVNRCIPQFWRCDGQVDCDNGSDEQGCPPKTCSQDEFRCHDGKCISRQFVCDSDRDCLDGSDEASCPVLTCGPASFQCNSSTCIPQLWACDNDPDCEDGSDEWPQRCRGLYVFQGDSSPCSAFEFHCLSGECIHSSWRCDGGPDCKDKSDEENCAVATCRPDEFQCSDGNCIHGSRQCDREYDCKDMSDEVGCVNVTLCEGPNKFKCHSGECITLDKVCNMARDCRDWSDEPIKECGTNECLDNNGGCSHVCNDLKIGYECLCPDGFQLVAQRRCEDIDECQDPDTCSQLCVNLEGGYKCQCEEGFQLDPHTKACKAVGSIAYLFFTNRHEVRKMTLDRSEYTSLIPNLRNVVALDTEVASNRIYWSDLSQRMICSTQLDRAHGVSSYDTVISRDIQAPDGLAVDWIHSNIYWTDSVLGTVSVADTKGVKRKTLFRENGSKPRAIVVDPVHGFMYWTDWGTPAKIKKGGLNGVDIYSLVTENIQWPNGITLDLLSGRLYWVDSKLHSISSIDVNGGNRKTILEDEKRLAHPFSLAVFEDKVFWTDIINEAIFSANRLTGSDVNLLAENLLSPEDMVLFHNLTQPRGVNWCERTTLSNGGCQYLCLPAPQINPHSPKFTCACPDGMLLARDMRSCLTEAEAAVATQETSTVRLKVSSTAVRTQHTTTRPVPDTSRLPGATPGLTTVEIVTMSHQALGDVAGRGNEKKPSSVRALSIVLPIVLLVFLCLGVFLLWKNWRLKNINSINFDNPVYQKTTEDEVHICHNQDGYSYPSRQMVSLEDDVA
  
Inhibitor
Name:
BDBM586440
Synonyms:
US11530244, Compound 437
Type:
Small organic molecule
Emp. Form.:
C58H61F2N13O12
Mol. Mass.:
1170.1816
SMILES:
NC(=O)[C@@H]1Cc2ccc(CNC(=O)CCCC(=O)NCC(=O)N[C@@H](Cc3c[nH]c4ccc(F)cc34)C(=O)N[C@@H](Cc3c[nH]c4ccc(F)cc34)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N1)cc2 |r|
Structure:
Search PDB for entries with ligand similarity: