Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577796
Substrate
n/a
Meas. Tech.
chemotaxis assay
IC50
<5±n/a nM
Citation
 Fan, P; Lange, CW; Malathong, V; Mali, VR; Punna, S; Tanaka, H; Zeng, Y; Zhang, P Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors US Patent  US11478460 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:
BDBM577796
Synonyms:
US11478460, Compound 1.136
Type:
Small organic molecule
Emp. Form.:
C30H28F5N5O2
Mol. Mass.:
585.5676
SMILES:
CC(C)(N1CCc2nn(c(c2C1)-c1cc(F)c(NC(N)=O)cc1F)-c1ccccc1OCC(F)(F)F)c1ccccc1 |(-1.77,5.84,;-.68,4.75,;-.28,6.24,;-1.45,3.42,;-2.99,3.42,;-3.76,2.08,;-2.99,.75,;-3.46,-.71,;-2.22,-1.62,;-.97,-.71,;-1.45,.75,;-.68,2.08,;.51,-1.11,;.91,-2.6,;2.4,-3,;2.8,-4.49,;3.49,-1.91,;4.98,-2.31,;6.07,-1.22,;7.55,-1.62,;5.67,.27,;3.09,-.42,;1.6,-.02,;1.2,1.46,;-2.22,-3.16,;-.89,-3.93,;-.89,-5.47,;-2.22,-6.24,;-3.55,-5.47,;-3.55,-3.93,;-4.89,-3.16,;-6.22,-3.93,;-7.55,-3.16,;-7.55,-1.62,;-8.89,-3.93,;-8.89,-2.39,;.86,4.75,;1.63,3.42,;3.17,3.42,;3.94,4.75,;3.17,6.09,;1.63,6.09,)|
Structure:
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