Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM445596
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:
BDBM445596
Synonyms:
US10683294, Compound 1.001 | US11479553, Compound 1.001
Type:
Small organic molecule
Emp. Form.:
C34H31F7N4
Mol. Mass.:
628.6256
SMILES:
CCc1cccc(CC)c1-n1nc2c(CN(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C2(C)C)c1-c1ccc(F)c2[nH]ccc12 |(7.3,3.2,;6.16,2.17,;6.48,.67,;7.94,.19,;8.26,-1.31,;7.12,-2.34,;5.65,-1.87,;4.51,-2.9,;4.83,-4.41,;5.33,-.36,;3.87,.11,;3.39,1.58,;1.85,1.58,;1.38,.11,;-.16,.11,;-.64,1.58,;-2.11,2.05,;-3.25,1.02,;-4.71,1.5,;-5.86,.47,;-5.54,-1.04,;-4.07,-1.51,;-2.93,-.48,;-3.75,-3.02,;-3.43,-4.53,;-5.26,-3.34,;-2.25,-2.7,;-7.32,.94,;-8.79,1.42,;-6.85,2.41,;-7.8,-.52,;.61,2.48,;-.15,3.82,;1.36,3.82,;2.62,-.79,;2.62,-2.33,;3.95,-3.1,;3.95,-4.64,;2.62,-5.41,;2.62,-6.95,;1.29,-4.64,;-.18,-5.12,;-1.08,-3.87,;-.18,-2.63,;1.29,-3.1,)|
Structure:
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