Reaction Details Report a problem with these data
Target
Interleukin-17A
Ligand
BDBM50581146
Substrate
n/a
Meas. Tech.
ChEMBL_2149823 (CHEMBL5034285)
IC50
190±n/a nM
Citation
 Ko?trun, S; Fajdeti?, A; Pe?i?, D; Braj?a, K; Benceti? Mihaljevi?, V; Jeli?, D; Petrini? Grba, A; Elenkov, I; Rup?i?, R; Kapi?, S; Ozimec Landek, I; Butkovi?, K; Grgi?evi?, A; ?iher, D; ?iko?, A; Padovan, J; Saxty, G; Dack, K; Bladh, H; Skak-Nielsen, T; Feldbaek Nielsen, S; Lambert, M; Stahlhut, M Macrolide Inspired Macrocycles as Modulators of the IL-17A/IL-17RA Interaction. J Med Chem 64:8354-8383 (2021) [PubMed]  Article 
Target
Name:
Interleukin-17A
Synonyms:
CTLA8 | Cytotoxic T-lymphocyte-associated antigen 8 | IL-17 | IL17 | IL17A | IL17_HUMAN | il-17a
Type:
Enzyme Catalytic Domain
Mol. Mass.:
17511.44
Organism:
Homo sapiens (Human)
Description:
Q16552
Residue:
155
Sequence:
MTPGKTSLVSLLLLLSLEAIVKAGITIPRNPGCPNSEDKNFPRTVMVNLNIHNRNTNTNPKRSSDYYNRSTSPWNLHRNEDPERYPSVIWEAKCRHLGCINADGNVDYHMNSVPIQQEILVLRREPPHCPNSFRLEKILVSVGCTCVTPIVHHVA
  
Inhibitor
Name:
BDBM50581146
Synonyms:
CHEMBL5069442
Type:
Small organic molecule
Emp. Form.:
C89H123N21O22S3
Mol. Mass.:
1935.251
SMILES:
CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CS)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Structure:
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