Reaction Details Report a problem with these data
Target
C3a anaphylatoxin chemotactic receptor
Ligand
BDBM50587350
Substrate
n/a
Meas. Tech.
ChEMBL_2172509 (CHEMBL5057643)
EC50
9.0±n/a nM
Citation
 Gorman, DM; Li, XX; Lee, JD; Fung, JN; Cui, CS; Lee, HS; Rolfe, BE; Woodruff, TM; Clark, RJ Development of Potent and Selective Agonists for Complement C5a Receptor 1 with In Vivo Activity. J Med Chem 64:16598-16608 (2021) [PubMed]  Article 
Target
Name:
C3a anaphylatoxin chemotactic receptor
Synonyms:
AZ3B | C3AR | C3AR1 | C3AR_HUMAN | C3R1 | C3a-R | HNFAG09
Type:
PROTEIN
Mol. Mass.:
53864.66
Organism:
Homo sapiens (Human)
Description:
ChEMBL_642034
Residue:
482
Sequence:
MASFSAETNSTDLLSQPWNEPPVILSMVILSLTFLLGLPGNGLVLWVAGLKMQRTVNTIWFLHLTLADLLCCLSLPFSLAHLALQGQWPYGRFLCKLIPSIIVLNMFASVFLLTAISLDRCLVVFKPIWCQNHRNVGMACSICGCIWVVAFVMCIPVFVYREIFTTDNHNRCGYKFGLSSSLDYPDFYGDPLENRSLENIVQPPGEMNDRLDPSSFQTNDHPWTVPTVFQPQTFQRPSADSLPRGSARLTSQNLYSNVFKPADVVSPKIPSGFPIEDHETSPLDNSDAFLSTHLKLFPSASSNSFYESELPQGFQDYYNLGQFTDDDQVPTPLVAITITRLVVGFLLPSVIMIACYSFIVFRMQRGRFAKSQSKTFRVAVVVVAVFLVCWTPYHIFGVLSLLTDPETPLGKTLMSWDHVCIALASANSCFNPFLYALLGKDFRKKARQSIQGILEAAFSEELTRSTHCPSNNVISERNSTTV
  
Inhibitor
Name:
BDBM50587350
Synonyms:
CHEMBL5076900
Type:
Small organic molecule
Emp. Form.:
C42H70N14O10
Mol. Mass.:
931.093
SMILES:
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Structure:
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