Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577790
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:
BDBM577790
Synonyms:
US11478460, Compound 1.130
Type:
Small organic molecule
Emp. Form.:
C33H38F2N6O3
Mol. Mass.:
604.69
SMILES:
COc1cc(NC(N)=O)c(F)cc1-c1c2CN(CCc2nn1-c1c(C)cccc1OCC(C)C)c1ncc(cc1F)C(C)C |(3.13,.42,;1.87,-.46,;2.27,-1.95,;3.76,-2.35,;4.16,-3.83,;5.64,-4.23,;6.73,-3.14,;8.22,-3.54,;6.33,-1.66,;3.07,-4.92,;3.47,-6.41,;1.58,-4.52,;1.18,-3.04,;-.31,-2.64,;-.78,-1.17,;-.01,.16,;-.78,1.49,;-2.32,1.49,;-3.09,.16,;-2.32,-1.17,;-2.8,-2.64,;-1.55,-3.54,;-1.55,-5.08,;-.22,-5.85,;1.12,-5.08,;-.22,-7.39,;-1.55,-8.16,;-2.89,-7.39,;-2.89,-5.85,;-4.22,-5.08,;-5.55,-5.85,;-6.89,-5.08,;-8.22,-5.85,;-6.89,-3.54,;-.01,2.83,;1.53,2.83,;2.3,4.16,;1.53,5.5,;-.01,5.5,;-.78,4.16,;-2.32,4.16,;2.3,6.83,;1.53,8.16,;3.84,6.83,)|
Structure:
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