Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM445643
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:
BDBM445643
Synonyms:
US10683294, Compound 1.048 | US11479553, Compound 1.048
Type:
Small organic molecule
Emp. Form.:
C30H36N4O2
Mol. Mass.:
484.6324
SMILES:
CCc1cccc(CC)c1-n1nc2c(CN(C(=O)OC(C)(C)C)C2(C)C)c1-c1ccc2[nH]ccc2c1 |(-5.9,-3.52,;-4.57,-2.75,;-3.23,-3.52,;-3.23,-5.06,;-1.9,-5.83,;-.56,-5.06,;-.56,-3.52,;.77,-2.75,;2.1,-3.52,;-1.9,-2.75,;-1.9,-1.21,;-3.14,-.31,;-2.67,1.15,;-1.13,1.15,;-.65,2.62,;-1.9,3.52,;-1.9,5.06,;-3.23,5.83,;-.56,5.83,;.77,5.06,;.77,3.52,;2.1,5.83,;2.1,4.29,;-3.14,2.62,;-3.54,4.11,;-4.63,3.02,;-.65,-.31,;.83,-.71,;1.23,-2.2,;2.72,-2.59,;3.81,-1.51,;5.35,-1.59,;5.9,-.15,;4.7,.82,;3.41,-.02,;1.92,.38,)|
Structure:
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