Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577791
Substrate
n/a
Meas. Tech.
chemotaxis assay
IC50
<5±n/a nM
Citation
 Fan, P; Lange, CW; Malathong, V; Mali, VR; Punna, S; Tanaka, H; Zeng, Y; Zhang, P Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors US Patent  US11478460 Publication Date 10/25/2022 
Target
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:
MDSFNYTTPDYGHYDDKDTLDLNTPVDKTSNTLRVPDILALVIFAVVFLVGVLGNALVVWVTAFEAKRTINAIWFLNLAVADFLSCLALPILFTSIVQHHHWPFGGAACSILPSLILLNMYASILLLATISADRFLLVFKPIWCQNFRGAGLAWIACAVAWGLALLLTIPSFLYRVVREEYFPPKVLCGVDYSHDKRRERAVAIVRLVLGFLWPLLTLTICYTFILLRTWSRRATRSTKTLKVVVAVVASFFIFWLPYQVTGIMMSFLEPSSPTFLLLKKLDSLCVSFAYINCCINPIIYVVAGQGFQGRLRKSLPSLLRNVLTEESVVRESKSFTRSTVDTMAQKTQAV
  
Inhibitor
Name:
BDBM577791
Synonyms:
US11478460, Compound 1.131
Type:
Small organic molecule
Emp. Form.:
C33H37F2N5O3
Mol. Mass.:
589.6754
SMILES:
COCC(N1CCc2nn(c(c2C1)-c1cc(F)c(NC(N)=O)cc1F)-c1c(C)cccc1OCC(C)C)c1ccccc1 |(-2.89,7.61,;-2.37,6.16,;-.83,6.16,;-.06,4.83,;-.83,3.49,;-2.37,3.49,;-3.14,2.16,;-2.37,.83,;-2.84,-.64,;-1.6,-1.54,;-.35,-.64,;-.83,.83,;-.06,2.16,;1.14,-1.04,;1.53,-2.52,;3.02,-2.92,;3.42,-4.41,;4.11,-1.83,;5.6,-2.23,;6.93,-1.46,;8.27,-2.23,;6.93,.08,;3.71,-.35,;2.22,.05,;1.83,1.54,;-1.6,-3.08,;-.26,-3.85,;1.07,-3.08,;-.26,-5.39,;-1.6,-6.16,;-2.93,-5.39,;-2.93,-3.85,;-4.26,-3.08,;-5.6,-3.85,;-6.93,-3.08,;-8.27,-3.85,;-6.93,-1.54,;1.48,4.83,;2.25,3.49,;3.79,3.49,;4.56,4.83,;3.79,6.16,;2.25,6.16,)|
Structure:
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