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TargetC3a anaphylatoxin chemotactic receptor
LigandBDBM50388999
Substrate/Competitorn/a
Meas. Tech.ChEMBL_832880 (CHEMBL2066642)
EC50 676.08±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:
BDBM50388999
n/a
NameBDBM50388999
Synonyms:CHEMBL2064013
TypeSmall organic molecule
Emp. Form.C95H143N35O21
Mol. Mass.2111.3738
SMILESCC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)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](CC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:105.121,80.89,61.70,36.43,19.23,4.4,127.132,140.145,wD:91.105,72.78,47.59,27.32,8.15,135.141,(37.4,-43.99,;37.39,-45.53,;38.73,-46.31,;36.05,-46.3,;36.05,-47.84,;34.71,-48.6,;33.38,-47.83,;33.39,-46.29,;32.04,-48.59,;32.04,-50.13,;33.37,-50.91,;33.36,-52.45,;34.69,-53.23,;34.68,-54.77,;33.35,-55.53,;36.02,-55.54,;30.71,-47.82,;29.38,-48.59,;29.37,-50.13,;28.05,-47.81,;28.05,-46.27,;29.38,-45.5,;30.72,-46.28,;29.39,-43.97,;26.7,-48.58,;25.37,-47.8,;25.38,-46.26,;24.04,-48.56,;24.03,-50.11,;25.36,-50.88,;25.36,-52.42,;24.02,-53.19,;26.69,-53.2,;22.71,-47.79,;21.38,-48.56,;21.37,-50.09,;20.04,-47.78,;20.05,-46.25,;21.38,-45.47,;21.39,-43.94,;22.72,-43.17,;22.73,-41.63,;21.4,-40.85,;24.07,-40.86,;18.7,-48.55,;17.37,-47.77,;17.38,-46.23,;16.04,-48.54,;16.03,-50.08,;17.36,-50.85,;18.77,-50.23,;19.8,-51.38,;19.03,-52.71,;19.49,-54.17,;18.46,-55.32,;16.95,-54.99,;16.48,-53.53,;17.52,-52.38,;14.71,-47.76,;13.37,-48.52,;13.36,-50.07,;12.03,-47.75,;12.04,-46.21,;13.38,-45.44,;13.39,-43.9,;14.72,-43.14,;14.73,-41.6,;13.4,-40.82,;16.07,-40.83,;10.7,-48.51,;9.37,-47.74,;9.38,-46.19,;8.03,-48.5,;8.02,-50.04,;9.36,-50.82,;10.69,-50.06,;9.35,-52.36,;6.7,-47.73,;5.36,-48.5,;5.36,-50.03,;4.03,-47.72,;4.04,-46.18,;5.37,-45.41,;5.38,-43.88,;6.72,-43.11,;6.73,-41.57,;5.4,-40.79,;8.06,-40.8,;2.7,-48.49,;1.37,-47.71,;1.37,-46.17,;.03,-48.47,;.02,-50.01,;1.36,-50.79,;2.77,-50.17,;3.79,-51.32,;3.01,-52.65,;3.48,-54.12,;2.45,-55.25,;.94,-54.93,;.47,-53.46,;1.51,-52.33,;-1.3,-47.7,;-2.64,-48.46,;-2.64,-50,;-3.97,-47.69,;-3.96,-46.15,;-2.63,-45.38,;-1.22,-46.01,;-.19,-44.87,;-.96,-43.54,;-.47,-42.07,;-1.5,-40.92,;-3.01,-41.24,;-3.49,-42.7,;-2.46,-43.85,;-5.3,-48.46,;-6.64,-47.69,;-7.96,-48.47,;-6.64,-46.16,;37.38,-48.61,;37.37,-50.15,;38.71,-47.85,;40.04,-48.63,;41.39,-47.86,;41.39,-46.32,;42.72,-48.64,;44.05,-47.87,;44.06,-46.33,;45.4,-45.56,;45.4,-44.03,;46.73,-46.34,;45.38,-48.64,;45.38,-50.18,;46.72,-47.88,;48.05,-48.65,;48.05,-50.2,;49.39,-47.89,;49.39,-46.35,;50.72,-48.66,;52.05,-47.9,;52.06,-46.36,;53.4,-45.6,;53.4,-44.06,;54.74,-43.29,;54.75,-41.75,;53.41,-40.98,;56.09,-40.99,;53.38,-48.68,;54.72,-47.91,;53.38,-50.22,)|
Structure
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