Reaction Details Report a problem with these data
Target
C3a anaphylatoxin chemotactic receptor
Ligand
BDBM50322647
Substrate
n/a
Meas. Tech.
ChEMBL_642034 (CHEMBL1176066)
EC50
490±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:
BDBM50322647
Synonyms:
(2S,5S,8S,11S,14S,17S)-14-((1H-indol-3-yl)methyl)-17-amino-2-(3-guanidinopropyl)-11-(hydroxymethyl)-8-isobutyl-5-methyl-4,7,10,13,16-pentaoxo-18-phenyl-3,6,9,12,15-pentaazaoctadecan-1-oic acid | CHEMBL1170636
Type:
Small organic molecule
Emp. Form.:
C38H54N10O8
Mol. Mass.:
778.8976
SMILES:
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:28.30,14.26,wD:40.43,45.47,4.4,8.10,(5.39,-19.98,;4.06,-19.2,;2.72,-19.97,;4.06,-17.66,;5.4,-16.89,;5.4,-15.35,;4.07,-14.58,;2.73,-15.34,;4.07,-13.04,;2.74,-12.26,;2.75,-10.72,;5.41,-12.27,;5.42,-10.73,;4.09,-9.95,;6.75,-9.96,;8.08,-10.73,;9.41,-9.97,;10.82,-10.6,;11.86,-9.46,;11.1,-8.13,;11.57,-6.66,;10.54,-5.52,;9.03,-5.84,;8.56,-7.29,;9.59,-8.45,;6.75,-8.42,;5.42,-7.63,;4.08,-8.4,;5.42,-6.1,;4.09,-5.33,;6.75,-5.33,;6.76,-3.79,;8.1,-3.03,;8.09,-1.49,;6.76,-.71,;5.44,-1.48,;5.43,-3.02,;6.72,-17.67,;6.73,-19.21,;8.06,-16.9,;9.39,-17.67,;9.39,-19.22,;10.73,-16.91,;10.73,-15.37,;12.05,-17.68,;13.39,-16.92,;14.73,-17.69,;16.06,-16.92,;16.07,-15.39,;17.4,-14.61,;18.73,-15.39,;20.06,-14.62,;18.72,-16.92,;13.4,-15.38,;12.06,-14.61,;14.73,-14.62,)|
Structure:
Search PDB for entries with ligand similarity: