Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM445651
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:
BDBM445651
Synonyms:
US10683294, Compound 1.056 | US11479553, Compound 1.056
Type:
Small organic molecule
Emp. Form.:
C29H32N4O
Mol. Mass.:
452.5906
SMILES:
Cc1cccc(C)c1-n1nc2CN(Cc2c1-c1ccc2[nH]ccc2c1)C(=O)CCC1CCCC1 |(-5.23,-3.68,;-3.9,-4.45,;-3.9,-5.99,;-2.57,-6.76,;-1.23,-5.99,;-1.23,-4.45,;.1,-3.68,;-2.57,-3.68,;-2.57,-2.14,;-3.81,-1.24,;-3.34,.23,;-3.81,1.69,;-2.57,2.6,;-1.32,1.69,;-1.8,.23,;-1.32,-1.24,;.17,-1.63,;.57,-3.12,;2.05,-3.52,;3.14,-2.43,;4.68,-2.51,;5.23,-1.07,;4.04,-.1,;2.74,-.94,;1.26,-.55,;-2.57,4.14,;-3.9,4.91,;-1.23,4.91,;.1,4.14,;1.44,4.91,;2.84,4.28,;3.87,5.43,;3.1,6.76,;1.6,6.44,)|
Structure:
Search PDB for entries with ligand similarity: