Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577772
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:
BDBM577772
Synonyms:
US11478460, Compound 1.112
Type:
Small organic molecule
Emp. Form.:
C25H20Cl2F2N4O
Mol. Mass.:
501.355
SMILES:
Cc1cccc(C)c1-n1nc2CCN(Cc2c1-c1cc(F)c(O)cc1F)c1ncc(Cl)cc1Cl |(-4.93,-4.42,;-3.6,-5.19,;-3.6,-6.73,;-2.26,-7.5,;-.93,-6.73,;-.93,-5.19,;.4,-4.42,;-2.26,-4.42,;-2.26,-2.88,;-3.51,-1.97,;-3.03,-.51,;-3.8,.83,;-3.03,2.16,;-1.49,2.16,;-.72,.83,;-1.49,-.51,;-1.02,-1.97,;.47,-2.37,;.87,-3.86,;2.36,-4.26,;2.75,-5.74,;3.44,-3.17,;4.93,-3.57,;3.05,-1.68,;1.56,-1.28,;1.16,.21,;-.72,3.49,;.82,3.49,;1.59,4.83,;.82,6.16,;1.59,7.5,;-.72,6.16,;-1.49,4.83,;-3.03,4.83,)|
Structure:
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