Ki Summary

Reaction Details

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Target

C5a anaphylatoxin chemotactic receptor 1

Ligand

BDBM50077504

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_41605 (CHEMBL650558)

IC50

794.33±n/a nM

Citation

Finch, AM; Wong, AK; Paczkowski, NJ; Wadi, SK; Craik, DJ; Fairlie, DP; Taylor, SM Low-molecular-weight peptidic and cyclic antagonists of the receptor for the complement factor C5a. J Med Chem42:1965-74 (1999) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

C5a anaphylatoxin chemotactic receptor 1

Name:

C5a anaphylatoxin chemotactic receptor 1

Synonyms:

C5AR | C5AR1 | C5AR1_HUMAN | C5R1 | C5a anaphylatoxin chemotactic receptor | C5a anaphylatoxin chemotactic receptor (C5aR) | C5a-R | CD_antigen=CD88

Type:

Enzyme

Mol. Mass.:

39347.68

Organism:

Homo sapiens (Human)

Description:

P21730

Residue:

350

Sequence:

MDSFNYTTPDYGHYDDKDTLDLNTPVDKTSNTLRVPDILALVIFAVVFLVGVLGNALVVW
VTAFEAKRTINAIWFLNLAVADFLSCLALPILFTSIVQHHHWPFGGAACSILPSLILLNM
YASILLLATISADRFLLVFKPIWCQNFRGAGLAWIACAVAWGLALLLTIPSFLYRVVREE
YFPPKVLCGVDYSHDKRRERAVAIVRLVLGFLWPLLTLTICYTFILLRTWSRRATRSTKT
LKVVVAVVASFFIFWLPYQVTGIMMSFLEPSSPTFLLLKKLDSLCVSFAYINCCINPIIY
VVAGQGFQGRLRKSLPSLLRNVLTEESVVRESKSFTRSTVDTMAQKTQAV

BDBM50077504

n/a

Name

BDBM50077504

Synonyms:

(R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-2-((S)-2-Acetylamino-3-phenyl-propionylamino)-5-amino-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-cyclohexyl-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-5-guanidino-pentanoic acid | CHEMBL2373386

Type

Small organic molecule

Emp. Form.

C48H68N10O8

Mol. Mass.

913.1157

SMILES

CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCC[C@@H]1C(=O)N[C@H](CC1CCCCC1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCN=C(N)N)C(O)=O |wU:4.4,41.43,wD:26.28,30.31,8.16,55.59,(11.3,-1.69,;9.87,-2.24,;9.64,-3.76,;8.19,-4.31,;7.97,-5.82,;6.54,-6.38,;5.34,-5.42,;5.49,-3.49,;3.59,-6.24,;3.44,-8.17,;5.02,-9.27,;4.86,-11.2,;6.46,-12.3,;8.19,-11.47,;8.36,-9.55,;6.77,-8.44,;2,-5.14,;.26,-5.97,;-1.33,-4.86,;.1,-7.89,;9.16,-6.79,;8.92,-8.29,;10.59,-6.23,;10.97,-4.76,;12.52,-4.66,;13.07,-6.09,;11.87,-7.07,;13.19,-7.82,;14.52,-7.07,;13.19,-9.35,;14.52,-10.12,;15.8,-9.27,;17.16,-9.97,;17.52,-11.47,;18.1,-10.36,;19.75,-9.65,;19.38,-8.14,;18.76,-9.32,;15.27,-11.42,;16.8,-11.42,;14.49,-12.75,;15.58,-13.83,;17.06,-13.44,;18.15,-14.53,;17.73,-16,;19.28,-16.75,;20.36,-15.65,;21.89,-15.75,;22.74,-14.47,;22.04,-13.09,;20.5,-13,;19.66,-14.3,;15.18,-15.32,;13.98,-15.63,;16.25,-16.41,;15.85,-17.88,;17.37,-18.03,;18,-19.43,;19.53,-19.6,;20.13,-21,;21.66,-21.16,;22.55,-19.93,;22.28,-22.56,;14.95,-19.11,;15.58,-20.51,;13.44,-18.96,)|

Structure