Reaction Details Report a problem with these data
Target
C5a anaphylatoxin chemotactic receptor 1
Ligand
BDBM577778
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:
BDBM577778
Synonyms:
US11478460, Compound 1.118
Type:
Small organic molecule
Emp. Form.:
C28H26Cl2FN5O
Mol. Mass.:
538.443
SMILES:
Cc1cc(NC(N)=O)c(F)cc1-c1c2CN(CCc2nn1-c1c(C)cccc1C)c1ccc(Cl)cc1Cl |(-.17,.21,;.22,-1.28,;1.71,-1.68,;2.11,-3.17,;3.6,-3.57,;4.93,-2.8,;6.27,-3.57,;4.93,-1.26,;1.02,-4.26,;1.42,-5.74,;-.47,-3.86,;-.86,-2.37,;-2.35,-1.97,;-2.83,-.51,;-2.06,.83,;-2.83,2.16,;-4.37,2.16,;-5.14,.83,;-4.37,-.51,;-4.84,-1.97,;-3.6,-2.88,;-3.6,-4.42,;-4.93,-5.19,;-6.27,-4.42,;-4.93,-6.73,;-3.6,-7.5,;-2.26,-6.73,;-2.26,-5.19,;-.93,-4.42,;-2.06,3.49,;-.52,3.49,;.25,4.83,;-.52,6.16,;.25,7.5,;-2.06,6.16,;-2.83,4.83,;-4.37,4.83,)|
Structure:
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