Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577822
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:
BDBM577822
Synonyms:
US11478460, Compound 1.162
Type:
Small organic molecule
Emp. Form.:
C32H35F2N5O
Mol. Mass.:
543.65
SMILES:
CCC(N1CCc2nn(c(c2C1)-c1cc(F)c(NC(N)=O)cc1F)-c1c(CC)cccc1CC)c1ccccc1 |(-1.35,6.83,;-2.12,5.5,;-1.35,4.16,;-2.12,2.83,;-3.66,2.83,;-4.43,1.49,;-3.66,.16,;-4.13,-1.3,;-2.89,-2.21,;-1.64,-1.3,;-2.12,.16,;-1.35,1.49,;-.15,-1.7,;.25,-3.19,;1.73,-3.59,;2.13,-5.08,;2.82,-2.5,;4.31,-2.9,;5.4,-1.81,;6.89,-2.21,;5,-.32,;2.42,-1.01,;.94,-.61,;.54,.87,;-2.89,-3.75,;-4.22,-4.52,;-5.55,-3.75,;-6.89,-4.52,;-4.22,-6.06,;-2.89,-6.83,;-1.55,-6.06,;-1.55,-4.52,;-.22,-3.75,;1.12,-4.52,;.19,4.16,;.96,2.83,;2.5,2.83,;3.27,4.16,;2.5,5.5,;.96,5.5,)|
Structure:
Search PDB for entries with ligand similarity: