Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM445607
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:
BDBM445607
Synonyms:
US10683294, Compound 1.012 | US11479553, Compound 1.012
Type:
Small organic molecule
Emp. Form.:
C32H31ClF2N4
Mol. Mass.:
545.065
SMILES:
CCc1cccc(CC)c1-n1nc2c(CN(Cc3ccc(F)cc3Cl)C2(C)C)c1-c1ccc(F)c2[nH]ccc12 |(-5.6,-4.68,;-4.26,-3.91,;-2.93,-4.68,;-2.93,-6.22,;-1.6,-6.99,;-.26,-6.22,;-.26,-4.68,;1.07,-3.91,;2.4,-4.68,;-1.6,-3.91,;-1.6,-2.37,;-2.84,-1.46,;-2.37,,;-.83,,;-.35,1.46,;-1.6,2.37,;-1.6,3.91,;-.26,4.68,;1.07,3.91,;2.4,4.68,;2.4,6.22,;3.74,6.99,;1.07,6.99,;-.26,6.22,;-1.6,6.99,;-2.84,1.46,;-3.24,2.95,;-4.33,1.86,;-.35,-1.46,;1.14,-1.86,;1.53,-3.35,;3.02,-3.75,;4.11,-2.66,;5.6,-3.06,;3.71,-1.17,;4.55,.12,;3.58,1.32,;2.14,.76,;2.22,-.77,)|
Structure:
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