Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577784
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:
BDBM577784
Synonyms:
US11478460, Compound 1.124
Type:
Small organic molecule
Emp. Form.:
C29H27ClF2N6O
Mol. Mass.:
549.014
SMILES:
Cc1cccc(C)c1-n1nc2CCN(Cc2c1-c1cc(F)c(NC(N)=O)cc1F)c1ncc(cc1Cl)C1CC1 |(-6.22,-5.19,;-4.89,-5.96,;-4.89,-7.5,;-3.55,-8.27,;-2.22,-7.5,;-2.22,-5.96,;-.89,-5.19,;-3.55,-5.19,;-3.55,-3.65,;-4.8,-2.74,;-4.32,-1.28,;-5.09,.06,;-4.32,1.39,;-2.78,1.39,;-2.01,.06,;-2.78,-1.28,;-2.31,-2.74,;-.82,-3.14,;-.42,-4.63,;1.07,-5.03,;1.47,-6.51,;2.16,-3.94,;3.64,-4.34,;4.73,-3.25,;6.22,-3.64,;4.33,-1.76,;1.76,-2.45,;.27,-2.05,;-.13,-.56,;-2.01,2.72,;-.47,2.72,;.3,4.06,;-.47,5.39,;-2.01,5.39,;-2.78,4.06,;-4.32,4.06,;.3,6.73,;1.63,7.5,;.3,8.27,)|
Structure:
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