Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM445620
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:
BDBM445620
Synonyms:
US10683294, Compound 1.025 | US11479553, Compound 1.025
Type:
Small organic molecule
Emp. Form.:
C35H34F6N4
Mol. Mass.:
624.6617
SMILES:
CCc1cccc(CC)c1-n1nc2c(CN(Cc3ccc(cc3C(F)(F)F)C(F)(F)F)C2(C)C)c1-c1ccc(C)c2[nH]ccc12 |(-5.6,-5.35,;-4.26,-4.58,;-2.93,-5.35,;-2.93,-6.89,;-1.6,-7.66,;-.26,-6.89,;-.26,-5.35,;1.07,-4.58,;2.4,-5.35,;-1.6,-4.58,;-1.6,-3.04,;-2.84,-2.13,;-2.37,-.67,;-.83,-.67,;-.35,.8,;-1.6,1.7,;-1.6,3.24,;-.26,4.01,;1.07,3.24,;2.4,4.01,;2.45,5.58,;1.07,6.32,;-.26,5.55,;-1.6,6.32,;-1.6,7.86,;-2.93,5.55,;-2.93,7.09,;3.79,6.35,;5.12,7.12,;4.56,5.02,;3.02,7.68,;-2.84,.8,;-3.24,2.29,;-4.33,1.2,;-.35,-2.13,;1.14,-2.53,;1.53,-4.02,;3.02,-4.42,;4.11,-3.33,;5.6,-3.73,;3.71,-1.84,;4.55,-.55,;3.58,.65,;2.14,.1,;2.22,-1.44,)|
Structure:
Search PDB for entries with ligand similarity: