Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577980
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:
BDBM577980
Synonyms:
US11478460, Compound 1.320
Type:
Small organic molecule
Emp. Form.:
C31H33ClFN5O2
Mol. Mass.:
562.077
SMILES:
CC(C)COc1cccc(C)c1-n1nc2CCN(Cc3cc(F)ccc3Cl)Cc2c1-c1ccc(NC(N)=O)cc1 |(-8.27,-4.52,;-6.93,-3.75,;-6.93,-2.21,;-5.6,-4.52,;-4.26,-3.75,;-2.93,-4.52,;-2.93,-6.06,;-1.6,-6.83,;-.26,-6.06,;-.26,-4.52,;1.07,-3.75,;-1.6,-3.75,;-1.6,-2.21,;-2.84,-1.3,;-2.37,.16,;-3.14,1.49,;-2.37,2.83,;-.83,2.83,;-.06,4.16,;1.48,4.16,;2.25,2.83,;3.79,2.83,;4.56,1.49,;4.56,4.16,;3.79,5.5,;2.25,5.5,;1.48,6.83,;-.06,1.49,;-.83,.16,;-.35,-1.3,;1.14,-1.7,;1.53,-3.19,;3.02,-3.59,;4.11,-2.5,;5.6,-2.9,;6.93,-2.13,;8.27,-2.9,;6.93,-.59,;3.71,-1.01,;2.22,-.61,)|
Structure:
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