Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577814
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:
BDBM577814
Synonyms:
US11478460, Compound 1.154
Type:
Small organic molecule
Emp. Form.:
C26H22F5N7O
Mol. Mass.:
543.4912
SMILES:
Cc1cccc(C)c1-n1nc2CCN(Cc2c1-c1cc(F)c(NC(N)=O)cc1F)c1ncc(cn1)C(F)(F)F |(-6.22,-5.08,;-4.89,-5.85,;-4.89,-7.39,;-3.55,-8.16,;-2.22,-7.39,;-2.22,-5.85,;-.89,-5.08,;-3.55,-5.08,;-3.55,-3.54,;-4.8,-2.64,;-4.32,-1.17,;-5.09,.16,;-4.32,1.49,;-2.78,1.49,;-2.01,.16,;-2.78,-1.17,;-2.31,-2.64,;-.82,-3.04,;-.42,-4.52,;1.07,-4.92,;1.47,-6.41,;2.16,-3.83,;3.64,-4.23,;4.73,-3.14,;6.22,-3.54,;4.33,-1.66,;1.76,-2.35,;.27,-1.95,;-.13,-.46,;-2.01,2.83,;-.47,2.83,;.3,4.16,;-.45,5.54,;-2.01,5.5,;-2.78,4.16,;.32,6.88,;1.09,8.21,;1.66,6.11,;-1.01,7.65,)|
Structure:
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