Ki Summary

Reaction Details

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Target

C5a anaphylatoxin chemotactic receptor 1

Ligand

BDBM50077495

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_41605 (CHEMBL650558)

IC50

4571±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

BDBM50077495

n/a

Name

BDBM50077495

Synonyms:

(R)-2-[(S)-2-[(R)-2-({(R)-1-[(S)-6-Amino-2-((S)-2-amino-propionylamino)-hexanoyl]-pyrrolidine-2-carbonyl}-amino)-3-cyclohexyl-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-5-guanidino-pentanoic acid | CHEMBL2373371

Type

Small organic molecule

Emp. Form.

C61H88N14O9

Mol. Mass.

1161.4398

SMILES

NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)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:21.21,59.62,9.9,wD:44.47,32.33,5.5,48.50,73.78,(5.11,-12.05,;5.51,-10.55,;4.42,-9.47,;4.42,-7.93,;3.09,-7.15,;3.09,-5.61,;1.76,-4.84,;.43,-5.61,;.82,-7.09,;-1.07,-5.21,;-2.15,-6.3,;-1.46,-3.72,;-.37,-2.64,;1.12,-3.04,;2.2,-1.94,;1.8,-.47,;.33,-.05,;-.76,-1.15,;4.43,-4.84,;4.42,-3.31,;5.77,-5.62,;7.1,-4.85,;7.1,-3.31,;8.43,-2.54,;8.43,-1,;9.76,-.23,;11.09,-1,;11.09,-2.54,;9.76,-3.31,;8.43,-5.62,;8.43,-7.16,;9.76,-4.85,;10.53,-6.18,;9.76,-7.51,;10.53,-8.85,;9.76,-10.18,;10.52,-11.51,;9.74,-12.84,;11.86,-6.95,;11.85,-8.49,;13.18,-6.18,;13.58,-4.7,;15.12,-4.6,;15.68,-6.05,;14.47,-7.02,;15.8,-7.79,;17.13,-7.02,;15.8,-9.33,;17.13,-10.1,;18.43,-9.25,;19.79,-9.95,;20.17,-11.46,;20.74,-10.34,;22.41,-9.62,;22.05,-8.12,;21.4,-9.29,;17.9,-11.42,;19.44,-11.42,;17.13,-12.75,;18.21,-13.84,;19.7,-13.45,;20.8,-14.54,;20.38,-16.04,;21.93,-16.78,;23.01,-15.69,;24.57,-15.77,;25.42,-14.47,;24.72,-13.1,;23.17,-13,;22.33,-14.31,;17.81,-15.34,;16.6,-15.66,;18.88,-16.43,;18.49,-17.92,;20.02,-18.08,;20.65,-19.49,;22.17,-19.65,;22.8,-21.05,;24.34,-21.22,;25.23,-19.98,;24.95,-22.63,;17.58,-19.16,;18.21,-20.56,;16.05,-19,)|

Structure