Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577816
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:
BDBM577816
Synonyms:
US11478460, Compound 1.156
Type:
Small organic molecule
Emp. Form.:
C33H37F2N5O2
Mol. Mass.:
573.676
SMILES:
CCc1cccc(CC)c1-n1nc2CCN(Cc2c1-c1cc(F)c(NC(N)=O)cc1F)C(C)(C)c1cccc(OC)c1 |(-6.93,-5.19,;-5.6,-4.42,;-4.26,-5.19,;-4.26,-6.73,;-2.93,-7.5,;-1.6,-6.73,;-1.6,-5.19,;-.26,-4.42,;1.07,-5.19,;-2.93,-4.42,;-2.93,-2.88,;-4.18,-1.97,;-3.7,-.51,;-4.47,.83,;-3.7,2.16,;-2.16,2.16,;-1.39,.83,;-2.16,-.51,;-1.69,-1.97,;-.2,-2.37,;.2,-3.86,;1.69,-4.26,;2.09,-5.74,;2.78,-3.17,;4.26,-3.57,;5.6,-2.8,;6.93,-3.57,;5.6,-1.26,;2.38,-1.68,;.89,-1.28,;.49,.21,;-1.39,3.49,;-2.48,4.58,;-.99,4.98,;.15,3.49,;.92,2.16,;2.46,2.16,;3.23,3.49,;2.49,4.88,;3.26,6.21,;2.49,7.54,;.92,4.83,)|
Structure:
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