Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577777
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:
BDBM577777
Synonyms:
US11478460, Compound 1.117
Type:
Small organic molecule
Emp. Form.:
C29H26F5N5O
Mol. Mass.:
555.5417
SMILES:
Cc1cc(NC(N)=O)c(F)cc1-c1c2CN(CCc2nn1-c1c(C)cccc1C)c1ccc(cc1F)C(F)(F)F |(-.17,-.46,;.22,-1.95,;1.71,-2.35,;2.11,-3.83,;3.6,-4.23,;4.93,-3.46,;6.27,-4.23,;4.93,-1.92,;1.02,-4.92,;1.42,-6.41,;-.47,-4.52,;-.86,-3.04,;-2.35,-2.64,;-2.83,-1.17,;-2.06,.16,;-2.83,1.49,;-4.37,1.49,;-5.14,.16,;-4.37,-1.17,;-4.84,-2.64,;-3.6,-3.54,;-3.6,-5.08,;-4.93,-5.85,;-6.27,-5.08,;-4.93,-7.39,;-3.6,-8.16,;-2.26,-7.39,;-2.26,-5.85,;-.93,-5.08,;-2.06,2.83,;-.52,2.83,;.25,4.16,;-.49,5.54,;-2.06,5.5,;-2.83,4.16,;-4.37,4.16,;.28,6.88,;1.05,8.21,;1.61,6.11,;-1.05,7.65,)|
Structure:
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