Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577976
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:
BDBM577976
Synonyms:
US11478460, Compound 1.316
Type:
Small organic molecule
Emp. Form.:
C31H33F2N5O2
Mol. Mass.:
545.6228
SMILES:
CC(C)COc1cccc(C)c1-n1nc2CCN(Cc3ccc(F)cc3F)Cc2c1-c1ccc(NC(N)=O)cc1 |(-8.22,-4.52,;-6.89,-3.75,;-6.89,-2.21,;-5.55,-4.52,;-4.22,-3.75,;-2.89,-4.52,;-2.89,-6.06,;-1.55,-6.83,;-.22,-6.06,;-.22,-4.52,;1.12,-3.75,;-1.55,-3.75,;-1.55,-2.21,;-2.8,-1.3,;-2.32,.16,;-3.09,1.49,;-2.32,2.83,;-.78,2.83,;-.01,4.16,;1.53,4.16,;2.3,2.83,;3.84,2.83,;4.61,4.16,;6.15,4.16,;3.84,5.5,;2.3,5.5,;1.53,6.83,;-.01,1.49,;-.78,.16,;-.31,-1.3,;1.18,-1.7,;1.58,-3.19,;3.07,-3.59,;4.16,-2.5,;5.64,-2.9,;6.73,-1.81,;8.22,-2.21,;6.33,-.32,;3.76,-1.01,;2.27,-.61,)|
Structure:
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