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TargetC3a anaphylatoxin chemotactic receptor
LigandBDBM50389004
Substrate/Competitorn/a
Meas. Tech.ChEMBL_832881 (CHEMBL2066643)
IC50 12.3±n/a nM
Citation Bellows-Peterson, MLFung, HKFloudas, CAKieslich, CAZhang, LMorikis, DWareham, KJMonk, PNHawksworth, OAWoodruff, TM De novo peptide design with C3a receptor agonist and antagonist activities: theoretical predictions and experimental validation. J Med Chem55:4159-68 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
C3a anaphylatoxin chemotactic receptor
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:
MASFSAETNSTDLLSQPWNEPPVILSMVILSLTFLLGLPGNGLVLWVAGLKMQRTVNTIW
FLHLTLADLLCCLSLPFSLAHLALQGQWPYGRFLCKLIPSIIVLNMFASVFLLTAISLDR
CLVVFKPIWCQNHRNVGMACSICGCIWVVAFVMCIPVFVYREIFTTDNHNRCGYKFGLSS
SLDYPDFYGDPLENRSLENIVQPPGEMNDRLDPSSFQTNDHPWTVPTVFQPQTFQRPSAD
SLPRGSARLTSQNLYSNVFKPADVVSPKIPSGFPIEDHETSPLDNSDAFLSTHLKLFPSA
SSNSFYESELPQGFQDYYNLGQFTDDDQVPTPLVAITITRLVVGFLLPSVIMIACYSFIV
FRMQRGRFAKSQSKTFRVAVVVVAVFLVCWTPYHIFGVLSLLTDPETPLGKTLMSWDHVC
IALASANSCFNPFLYALLGKDFRKKARQSIQGILEAAFSEELTRSTHCPSNNVISERNST
TV
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50389004
n/a
NameBDBM50389004
Synonyms:CHEMBL2064021
TypeSmall organic molecule
Emp. Form.C90H139N31O18
Mol. Mass.1943.2636
SMILESCC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:105.109,87.89,117.124,65.74,40.47,29.31,12.16,4.4,128.133,wD:91.105,76.85,51.63,35.35,20.25,123.129,(43.63,-17.18,;43.63,-18.73,;44.96,-19.49,;42.29,-19.5,;42.29,-21.03,;40.96,-21.8,;39.62,-21.03,;39.62,-19.49,;38.29,-21.8,;36.96,-21.02,;35.62,-21.8,;35.62,-23.34,;34.28,-21.02,;34.29,-19.48,;35.63,-18.71,;35.63,-17.18,;36.96,-19.49,;32.96,-21.8,;31.62,-21.02,;31.62,-19.48,;30.28,-21.79,;30.29,-23.32,;31.61,-24.1,;31.61,-25.64,;32.95,-26.41,;32.94,-27.95,;28.95,-21.02,;27.62,-21.79,;27.62,-23.33,;26.29,-21.01,;26.29,-19.48,;27.62,-18.71,;24.96,-21.78,;23.62,-21.01,;23.63,-19.47,;22.28,-21.79,;22.29,-23.32,;20.95,-21.02,;19.62,-21.79,;19.62,-23.33,;18.29,-21.03,;18.28,-19.48,;19.62,-18.71,;19.61,-17.17,;20.94,-16.4,;20.94,-14.86,;19.61,-14.09,;22.27,-14.08,;16.96,-21.8,;15.62,-21.03,;15.62,-19.49,;14.29,-21.8,;14.29,-23.34,;15.63,-24.11,;17.04,-23.48,;18.07,-24.62,;17.29,-25.96,;17.78,-27.42,;16.75,-28.57,;15.24,-28.25,;14.76,-26.79,;15.79,-25.64,;12.95,-21.04,;11.62,-21.81,;11.62,-23.35,;10.29,-21.04,;10.28,-19.51,;11.61,-18.73,;11.61,-17.19,;12.94,-16.41,;12.94,-14.88,;11.61,-14.11,;14.27,-14.1,;8.95,-21.82,;7.62,-21.05,;7.62,-19.51,;6.29,-21.83,;6.29,-23.36,;7.62,-24.13,;7.63,-25.67,;8.96,-26.43,;8.97,-27.97,;7.64,-28.75,;10.3,-28.74,;4.95,-21.05,;3.62,-21.83,;3.62,-23.37,;2.28,-21.06,;.95,-21.84,;-.38,-21.07,;-.39,-19.53,;-1.71,-21.84,;-1.71,-23.38,;-.38,-24.15,;1.03,-23.52,;2.06,-24.66,;1.3,-26,;1.77,-27.45,;.75,-28.6,;-.76,-28.29,;-1.24,-26.82,;-.21,-25.68,;-3.05,-21.07,;-4.38,-21.84,;-4.38,-23.39,;-5.72,-21.08,;-7.05,-21.85,;-5.72,-19.54,;-4.39,-18.77,;-2.98,-19.39,;-1.95,-18.24,;-2.73,-16.91,;-2.25,-15.45,;-3.29,-14.3,;-4.79,-14.63,;-5.27,-16.09,;-4.23,-17.23,;2.28,-19.52,;.95,-18.76,;3.61,-18.75,;43.62,-21.81,;43.62,-23.34,;44.96,-21.04,;46.29,-21.81,;46.29,-23.35,;47.62,-21.04,;47.62,-19.5,;48.95,-21.81,;50.29,-21.04,;50.3,-19.5,;51.62,-18.73,;51.62,-17.2,;52.96,-16.42,;52.96,-14.88,;51.63,-14.1,;54.3,-14.11,;51.63,-21.81,;52.95,-21.04,;51.62,-23.36,)|
Structure
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