Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM445626
Substrate
n/a
Meas. Tech.
Inhibition Ligand Binding Assay
IC50
27.5±n/a nM
Citation
 Fan, P; Lange, CW; Lui, RM; Malathong, V; Mali, VR; Punna, S; Zeng, Y; Zhang, P 5-5 fused rings as C5a inhibitors US Patent  US10683294 Publication Date 6/16/2020 
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:
BDBM445626
Synonyms:
US10683294, Compound 1.031 | US11479553, Compound 1.031
Type:
Small organic molecule
Emp. Form.:
C34H31F7N4
Mol. Mass.:
628.6256
SMILES:
CCc1cccc(CC)c1-n1nc2c(CN(Cc3ccc(cc3C(F)(F)F)C(F)(F)F)C2(C)C)c1-c1cc(F)cc2[nH]ccc12 |(-5.33,-5.35,;-4,-4.58,;-2.67,-5.35,;-2.67,-6.89,;-1.33,-7.66,;,-6.89,;,-5.35,;1.33,-4.58,;1.73,-6.06,;-1.33,-4.58,;-1.33,-3.04,;-2.58,-2.13,;-2.1,-.67,;-.56,-.67,;-.09,.8,;-1.33,1.7,;-1.33,3.24,;,4.01,;1.33,3.24,;2.67,4.01,;2.72,5.58,;1.33,6.32,;,5.55,;-1.33,6.32,;-1.33,7.86,;-2.67,5.55,;-2.67,7.09,;4.05,6.35,;5.38,7.12,;4.82,5.02,;3.28,7.68,;-2.58,.8,;-2.98,2.29,;-4.07,1.2,;-.09,-2.13,;1.4,-2.53,;1.8,-4.02,;3.29,-4.42,;3.68,-5.9,;4.37,-3.33,;3.98,-1.84,;4.81,-.55,;3.85,.65,;2.41,.1,;2.49,-1.44,)|
Structure:
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