Ki Summary

Reaction Details

Report a problem with these data

Target

C3a anaphylatoxin chemotactic receptor

Ligand

BDBM50322655

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_642036 (CHEMBL1176068)

IC50

1585±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 Chem53:4938-48 (2010) [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

BDBM50322655

n/a

Name

BDBM50322655

Synonyms:

(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S)-2-((1H-indol-3-yl)methyl)-29-((2S,5S,8S,11S,14S)-14-amino-2-benzyl-8-((R)-1-hydroxyethyl)-15-(1H-indol-3-yl)-11-isopropyl-5-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)-11-(2-amino-2-oxoethyl)-23-(4-aminobutyl)-5,14-di-sec-butyl-20-(3-guanidinopropyl)-17-((R)-1-hydroxyethyl)-8,26-dimethyl-4,7,10,13,16,19,22,25,28-nonaoxo-3,6,9,12,15,18,21,24,27-nonaazadotriacontane-1,32-dioic acid | CHEMBL1169838

Type

Small organic molecule

Emp. Form.

C86H128N22O21

Mol. Mass.

1806.0713

SMILES

CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r,wU:79.80,49.49,21.21,8.8,2.2,87.88,63.71,29.36,102.106,115.117,wD:74.75,25.25,108.111,4.4,83.84,54.59,105.109,13.17,40.45,(44.8,-15.37,;44.78,-13.84,;46.11,-13.06,;47.45,-13.81,;46.09,-11.52,;44.75,-10.76,;43.42,-11.54,;43.44,-13.08,;42.09,-10.78,;42.07,-9.24,;40.76,-11.57,;39.42,-10.81,;39.41,-9.27,;38.1,-11.59,;38.12,-13.13,;39.46,-13.89,;40.78,-13.12,;39.47,-15.43,;36.75,-10.84,;35.42,-11.62,;35.44,-13.16,;34.08,-10.86,;32.76,-11.64,;31.42,-10.89,;31.4,-9.35,;30.09,-11.67,;28.75,-10.91,;27.43,-11.69,;27.44,-13.23,;26.09,-10.94,;26.07,-9.39,;27.4,-8.62,;27.38,-7.07,;28.71,-6.3,;28.7,-4.76,;27.35,-4.01,;30.02,-3.98,;24.77,-11.73,;23.43,-10.96,;23.42,-9.42,;22.11,-11.74,;22.12,-13.28,;23.47,-14.03,;23.48,-15.57,;24.82,-16.33,;24.83,-17.88,;20.76,-10.98,;19.44,-11.76,;19.46,-13.3,;18.1,-11.01,;18.09,-9.47,;16.78,-11.8,;15.44,-11.03,;15.42,-9.49,;14.11,-11.81,;14.13,-13.35,;15.47,-14.11,;15.49,-15.65,;14.15,-16.45,;16.83,-16.41,;12.76,-11.07,;11.43,-11.84,;11.44,-13.38,;10.09,-11.09,;10.07,-9.54,;11.39,-8.76,;12.74,-9.52,;14.06,-8.74,;14.04,-7.2,;12.7,-6.44,;11.38,-7.22,;8.77,-11.88,;7.43,-11.11,;7.41,-9.57,;6.11,-11.89,;6.12,-13.42,;4.77,-11.13,;3.44,-11.91,;3.46,-13.45,;2.1,-11.16,;.78,-11.94,;-.57,-11.18,;-.58,-9.64,;-1.89,-11.96,;-3.25,-11.23,;-4.58,-12,;-4.57,-13.54,;-5.92,-11.24,;-7.25,-12.05,;-5.94,-9.7,;-4.61,-8.91,;-3.2,-9.53,;-2.18,-8.38,;-2.96,-7.05,;-2.5,-5.58,;-3.54,-4.44,;-5.05,-4.78,;-5.51,-6.25,;-4.47,-7.38,;-1.87,-13.51,;-.53,-14.27,;-3.2,-14.29,;2.09,-9.62,;.74,-8.86,;3.41,-8.85,;30.11,-13.21,;28.79,-13.99,;31.44,-13.98,;34.07,-9.32,;35.4,-8.54,;32.72,-8.56,;32.71,-7.02,;47.42,-10.74,;47.4,-9.19,;48.76,-11.49,;50.08,-10.71,;50.07,-9.17,;51.39,-8.39,;52.81,-9,;53.83,-7.84,;53.04,-6.52,;53.51,-5.05,;52.46,-3.91,;50.96,-4.25,;50.5,-5.72,;51.54,-6.85,;51.42,-11.46,;52.75,-10.68,;51.44,-13,)|

Structure