Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM445627
Substrate
n/a
Meas. Tech.
Inhibition Ligand Binding Assay
IC50
<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:
BDBM445627
Synonyms:
US10683294, Compound 1.032 | US11479553, Compound 1.009
Type:
Small organic molecule
Emp. Form.:
C30H37FN4
Mol. Mass.:
472.64
SMILES:
CCc1cccc(CC)c1-n1nc2c(CN(CC(C)(C)C)C2(C)C)c1-c1ccc(F)c2[nH]ccc12 |(-5.6,-4.29,;-4.26,-3.52,;-2.93,-4.29,;-2.93,-5.83,;-1.6,-6.6,;-.26,-5.83,;-.26,-4.29,;1.07,-3.52,;2.4,-4.29,;-1.6,-3.52,;-1.6,-1.98,;-2.84,-1.08,;-2.37,.38,;-.83,.38,;-.35,1.85,;-1.6,2.75,;-1.6,4.29,;-.26,5.06,;-.26,6.6,;1.07,4.29,;1.07,5.83,;-2.84,1.85,;-3.24,3.34,;-4.33,2.25,;-.35,-1.08,;1.14,-1.48,;1.53,-2.97,;3.02,-3.36,;4.11,-2.28,;5.6,-2.67,;3.71,-.79,;4.55,.5,;3.58,1.7,;2.14,1.15,;2.22,-.39,)|
Structure:
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