Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577798
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:
BDBM577798
Synonyms:
US11478460, Compound 1.138
Type:
Small organic molecule
Emp. Form.:
C29H26F5N5O2
Mol. Mass.:
571.5411
SMILES:
CC(C)(N1CCc2nn(c(c2C1)-c1cc(F)c(NC(N)=O)cc1F)-c1ccccc1OC(F)(F)F)c1ccccc1 |(-2.43,5.84,;-1.35,4.75,;-.95,6.24,;-2.12,3.42,;-3.66,3.42,;-4.43,2.08,;-3.66,.75,;-4.13,-.71,;-2.89,-1.62,;-1.64,-.71,;-2.12,.75,;-1.35,2.08,;-.15,-1.11,;.25,-2.6,;1.73,-3,;2.13,-4.49,;2.82,-1.91,;4.31,-2.31,;5.4,-1.22,;6.89,-1.62,;5,.27,;2.42,-.42,;.94,-.02,;.54,1.46,;-2.89,-3.16,;-1.55,-3.93,;-1.55,-5.47,;-2.89,-6.24,;-4.22,-5.47,;-4.22,-3.93,;-5.55,-3.16,;-6.89,-3.93,;-8.22,-3.16,;-6.89,-5.47,;-8.22,-4.7,;.19,4.75,;.96,3.42,;2.5,3.42,;3.27,4.75,;2.5,6.09,;.96,6.09,)|
Structure:
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