Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577789
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:
BDBM577789
Synonyms:
US11478460, Compound 1.129
Type:
Small organic molecule
Emp. Form.:
C33H38F2N6O2
Mol. Mass.:
588.6906
SMILES:
CC(C)COc1cccc(C)c1-n1nc2CCN(Cc2c1-c1cc(F)c(NC(N)=O)cc1C)c1ncc(cc1F)C(C)C |(-8.22,-5.85,;-6.89,-5.08,;-6.89,-3.54,;-5.55,-5.85,;-4.22,-5.08,;-2.89,-5.85,;-2.89,-7.39,;-1.55,-8.16,;-.22,-7.39,;-.22,-5.85,;1.12,-5.08,;-1.55,-5.08,;-1.55,-3.54,;-2.8,-2.64,;-2.32,-1.17,;-3.09,.16,;-2.32,1.49,;-.78,1.49,;-.01,.16,;-.78,-1.17,;-.31,-2.64,;1.18,-3.04,;1.58,-4.52,;3.07,-4.92,;3.47,-6.41,;4.16,-3.83,;5.64,-4.23,;6.73,-3.14,;8.22,-3.54,;6.33,-1.66,;3.76,-2.35,;2.27,-1.95,;1.87,-.46,;-.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:
Search PDB for entries with ligand similarity: