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TargetC3a anaphylatoxin chemotactic receptor
LigandBDBM50389002
Substrate/Competitorn/a
Meas. Tech.ChEMBL_832881 (CHEMBL2066643)
IC50 4.57±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:
BDBM50389002
n/a
NameBDBM50389002
Synonyms:CHEMBL2064017
TypeSmall organic molecule
Emp. Form.C93H141N31O20
Mol. Mass.2013.3103
SMILESCC(C)C[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)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](Cc1c[nH]c2ccccc12)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |r,wU:107.123,89.91,122.129,67.76,42.49,29.33,12.16,4.4,133.138,wD:93.107,78.87,53.65,37.37,20.25,128.134,(51.04,2.49,;51.04,.95,;52.38,.19,;49.71,.18,;49.71,-1.36,;48.38,-2.14,;47.04,-1.38,;47.04,.17,;45.72,-2.15,;44.38,-1.37,;43.04,-2.16,;43.05,-3.68,;41.71,-1.38,;41.71,.15,;43.04,.92,;43.04,2.46,;44.37,.15,;40.38,-2.15,;39.04,-1.39,;39.04,.15,;37.71,-2.16,;37.71,-3.7,;39.05,-4.47,;39.05,-6.01,;40.39,-6.77,;40.39,-8.31,;36.37,-1.39,;35.04,-2.17,;35.05,-3.71,;33.71,-1.41,;33.71,.14,;35.03,.91,;36.37,.15,;35.03,2.45,;32.37,-2.18,;31.04,-1.41,;31.03,.13,;29.71,-2.18,;29.71,-3.72,;28.37,-1.41,;27.05,-2.19,;27.05,-3.73,;25.71,-1.42,;25.71,.11,;27.03,.88,;27.03,2.43,;28.36,3.21,;28.36,4.75,;27.02,5.51,;29.69,5.52,;24.38,-2.19,;23.04,-1.43,;23.04,.12,;21.71,-2.2,;21.71,-3.74,;23.05,-4.51,;24.45,-3.87,;25.49,-5.02,;24.72,-6.35,;25.2,-7.82,;24.18,-8.97,;22.67,-8.65,;22.19,-7.19,;23.22,-6.04,;20.38,-1.43,;19.05,-2.21,;19.05,-3.75,;17.71,-1.44,;17.71,.1,;19.04,.87,;19.03,2.4,;20.36,3.17,;20.36,4.72,;19.02,5.49,;21.69,5.49,;16.38,-2.21,;15.04,-1.45,;15.04,.09,;13.71,-2.22,;13.72,-3.76,;15.05,-4.53,;15.05,-6.07,;16.39,-6.83,;16.39,-8.37,;15.06,-9.14,;17.73,-9.14,;12.37,-1.45,;11.04,-2.23,;11.04,-3.76,;9.7,-1.45,;8.38,-2.23,;7.04,-1.46,;7.04,.07,;5.71,-2.24,;5.71,-3.78,;7.05,-4.54,;8.45,-3.92,;9.49,-5.06,;8.72,-6.39,;9.2,-7.86,;8.17,-9.01,;6.67,-8.69,;6.19,-7.22,;7.21,-6.08,;4.38,-1.47,;3.05,-2.25,;3.05,-3.79,;1.71,-1.48,;1.7,.07,;3.03,.84,;4.44,.21,;5.47,1.36,;4.7,2.69,;5.17,4.16,;4.13,5.3,;2.63,4.97,;2.15,3.51,;3.2,2.37,;.39,-2.25,;-.94,-1.49,;-2.27,-2.26,;-.95,.05,;9.7,.08,;8.36,.85,;11.04,.85,;51.04,-2.13,;51.05,-3.67,;52.38,-1.36,;53.72,-2.12,;53.72,-3.67,;55.04,-1.35,;55.04,.19,;56.38,-2.11,;57.71,-1.34,;57.7,.19,;59.04,.97,;59.04,2.51,;60.36,3.28,;60.36,4.82,;59.03,5.59,;61.7,5.6,;59.05,-2.11,;60.38,-1.33,;59.05,-3.65,)|
Structure
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