Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM445647
Substrate
n/a
Meas. Tech.
Identification of Inhibitors of C5aR
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  US11479553 Publication Date 10/25/2022 
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:
BDBM445647
Synonyms:
US10683294, Compound 1.052 | US11479553, Compound 1.052
Type:
Small organic molecule
Emp. Form.:
C28H34N4
Mol. Mass.:
426.5964
SMILES:
Cc1cccc(C)c1-n1nc2c(CN(CC(C)(C)C)C2(C)C)c1-c1ccc2[nH]ccc2c1 |(.13,-3.52,;-1.2,-4.29,;-1.2,-5.83,;-2.53,-6.6,;-3.87,-5.83,;-3.87,-4.29,;-5.2,-3.52,;-2.53,-3.52,;-2.53,-1.98,;-3.78,-1.08,;-3.3,.38,;-1.76,.38,;-1.29,1.85,;-2.53,2.75,;-2.53,4.29,;-1.2,5.06,;.13,4.29,;-1.2,6.6,;.13,5.83,;-3.78,1.85,;-4.18,3.34,;-5.27,1.45,;-1.29,-1.08,;.2,-1.48,;.6,-2.97,;2.09,-3.36,;3.18,-2.28,;4.71,-2.36,;5.27,-.92,;4.07,.05,;2.78,-.79,;1.29,-.39,)|
Structure:
Search PDB for entries with ligand similarity: