Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577981
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:
BDBM577981
Synonyms:
US11478460, Compound 1.321
Type:
Small organic molecule
Emp. Form.:
C32H34F3N5O2
Mol. Mass.:
577.6399
SMILES:
CC(C)COc1cccc(C)c1-n1nc2CCN(Cc2c1-c1ccc(NC(N)=O)cc1)c1ccc(C)cc1C(F)(F)F |(-8.22,-5.19,;-6.89,-4.42,;-6.89,-2.88,;-5.55,-5.19,;-4.22,-4.42,;-2.89,-5.19,;-2.89,-6.73,;-1.55,-7.5,;-.22,-6.73,;-.22,-5.19,;1.12,-4.42,;-1.55,-4.42,;-1.55,-2.88,;-2.8,-1.97,;-2.32,-.51,;-3.09,.83,;-2.32,2.16,;-.78,2.16,;-.01,.83,;-.78,-.51,;-.31,-1.97,;1.18,-2.37,;1.58,-3.86,;3.07,-4.26,;4.16,-3.17,;5.64,-3.57,;6.73,-2.48,;8.22,-2.87,;6.33,-.99,;3.76,-1.68,;2.27,-1.28,;-.01,3.49,;1.53,3.49,;2.3,4.83,;1.53,6.16,;2.3,7.5,;-.01,6.16,;-.78,4.83,;-2.32,4.83,;-3.09,6.16,;-3.09,3.49,;-3.86,4.83,)|
Structure:
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