Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM445657
Substrate
n/a
Meas. Tech.
Inhibition Ligand Binding Assay
IC50
>500±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:
BDBM445657
Synonyms:
US10683294, Compound 1.062
Type:
Small organic molecule
Emp. Form.:
C26H28N4O2
Mol. Mass.:
428.5261
SMILES:
CC(C)[C@H](O)C(=O)N1Cc2nn(c(c2C1)-c1ccc2[nH]ccc2c1)-c1c(C)cccc1C |r,wD:3.3,(.1,6.99,;-1.23,6.22,;-2.57,6.99,;-1.23,4.68,;.1,3.91,;-2.57,3.91,;-3.9,4.68,;-2.57,2.37,;-3.81,1.46,;-3.34,,;-3.81,-1.46,;-2.57,-2.37,;-1.32,-1.46,;-1.8,,;-1.32,1.46,;.17,-1.86,;.57,-3.35,;2.05,-3.75,;3.14,-2.66,;4.68,-2.74,;5.23,-1.3,;4.04,-.33,;2.74,-1.17,;1.26,-.77,;-2.57,-3.91,;-3.9,-4.68,;-5.23,-3.91,;-3.9,-6.22,;-2.57,-6.99,;-1.23,-6.22,;-1.23,-4.68,;.1,-3.91,)|
Structure:
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