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Target
C3a anaphylatoxin chemotactic receptor
Ligand
BDBM50322617
Substrate
n/a
Meas. Tech.
ChEMBL_642036 (CHEMBL1176068)
IC50
250±n/a nM
Citation
 Scully, CC; Blakeney, JS; Singh, R; Hoang, HN; Abbenante, G; Reid, RC; Fairlie, DP Selective hexapeptide agonists and antagonists for human complement C3a receptor. J Med Chem 53:4938-48 (2010) [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:
BDBM50322617
Synonyms:
(3S,6S,9S,12R,15R,18S,21S,24S)-3-((2S,5S,8S,11S,14S)-14-amino-8-((R)-1-hydroxyethyl)-15-(1H-imidazol-5-yl)-5,11-diisobutyl-2-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)-24-((S)-2-((S)-1-carboxy-2-phenylethylcarbamoyl)pyrrolidine-1-carbonyl)-21-(hydroxymethyl)-6,9,18-triisobutyl-12,15-bis(mercaptomethyl)-26-methyl-4,7,10,13,16,19,22-heptaoxo-5,8,11,14,17,20,23-heptaazaheptacosan-1-oic acid | CHEMBL1170025
Type:
Small organic molecule
Emp. Form.:
C76H123N17O20S2
Mol. Mass.:
1659.022
SMILES:
CC(C)C[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Structure:
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