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Target
C3a anaphylatoxin chemotactic receptor
Ligand
BDBM50322618
Substrate
n/a
Meas. Tech.
ChEMBL_642036 (CHEMBL1176068)
IC50
13±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:
BDBM50322618
Synonyms:
(3S,6R,9S)-14-amino-2-((S)-1-((S)-2-((S)-1-((S)-6-amino-2-((S)-2-((S)-2-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-3-hydroxypropanamido)-3-phenylpropanamido)hexanoyl)pyrrolidine-2-carboxamido)-4-(methylthio)butanoyl)pyrrolidine-2-carbonyl)-14-imino-3-isobutyl-6-methyl-4,7-dioxo-2,5,8,13-tetraazatetradecane-9-carboxylic acid | CHEMBL1170026
Type:
Small organic molecule
Emp. Form.:
C58H90N14O13S
Mol. Mass.:
1223.486
SMILES:
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7](-[#6])-[#6@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r|
Structure:
Search PDB for entries with ligand similarity: