Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577807
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:
BDBM577807
Synonyms:
US11478460, Compound 1.147
Type:
Small organic molecule
Emp. Form.:
C29H29Cl2FN6O2
Mol. Mass.:
583.484
SMILES:
CCc1cccc(CC)c1-n1nc2CCN(Cc2c1-c1cc(F)c(NC(N)=O)cc1OC)c1ncc(Cl)cc1Cl |(-6.89,-5.19,;-5.55,-4.42,;-4.22,-5.19,;-4.22,-6.73,;-2.89,-7.5,;-1.55,-6.73,;-1.55,-5.19,;-.22,-4.42,;1.12,-5.19,;-2.89,-4.42,;-2.89,-2.88,;-4.13,-1.97,;-3.66,-.51,;-4.43,.83,;-3.66,2.16,;-2.12,2.16,;-1.35,.83,;-2.12,-.51,;-1.64,-1.97,;-.15,-2.37,;.25,-3.86,;1.73,-4.26,;2.13,-5.74,;2.82,-3.17,;4.31,-3.57,;5.4,-2.48,;6.89,-2.87,;5,-.99,;2.42,-1.68,;.94,-1.28,;.54,.21,;1.8,1.09,;-1.35,3.49,;.19,3.49,;.96,4.83,;.19,6.16,;.96,7.5,;-1.35,6.16,;-2.12,4.83,;-3.66,4.83,)|
Structure:
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