Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577812
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:
BDBM577812
Synonyms:
US11478460, Compound 1.152
Type:
Small organic molecule
Emp. Form.:
C31H32F3N5O
Mol. Mass.:
547.6139
SMILES:
CCc1cccc(CC)c1-n1nc2CCN(Cc2c1-c1cc(F)c(NC(N)=O)cc1F)C(C)c1ccc(F)cc1 |(-6.89,-3.85,;-5.55,-3.08,;-4.22,-3.85,;-4.22,-5.39,;-2.89,-6.16,;-1.55,-5.39,;-1.55,-3.85,;-.22,-3.08,;1.12,-3.85,;-2.89,-3.08,;-2.89,-1.54,;-4.13,-.64,;-3.66,.83,;-4.43,2.16,;-3.66,3.49,;-2.12,3.49,;-1.35,2.16,;-2.12,.83,;-1.64,-.64,;-.15,-1.04,;.25,-2.52,;1.73,-2.92,;2.13,-4.41,;2.82,-1.83,;4.31,-2.23,;5.4,-1.14,;6.89,-1.54,;5,.35,;2.42,-.35,;.94,.05,;.54,1.54,;-1.35,4.83,;-2.12,6.16,;.19,4.83,;.96,3.49,;2.5,3.49,;3.27,4.83,;4.81,4.83,;2.5,6.16,;.96,6.16,)|
Structure:
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