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Target
Smoothened homolog
Ligand
BDBM50352943
Substrate
n/a
Meas. Tech.
ChEMBL_767695 (CHEMBL1825807)
IC50
31±n/a nM
Citation
 Brown, ML; Aaron, W; Austin, RJ; Chong, A; Huang, T; Jiang, B; Kaizerman, JA; Lee, G; Lucas, BS; McMinn, DL; Orf, J; Rong, M; Toteva, MM; Xu, G; Ye, Q; Zhong, W; Degraffenreid, MR; Wickramasinghe, D; Powers, JP; Hungate, R; Johnson, MG Discovery of amide replacements that improve activity and metabolic stability of a bis-amide smoothened antagonist hit. Bioorg Med Chem Lett 21:5206-9 (2011) [PubMed]  Article 
Target
Name:
Smoothened homolog
Synonyms:
G-protein- coupled-like receptor Smoothened (Smo) | SMO | SMOH | SMO_HUMAN | Smoothened homolog
Type:
Protein
Mol. Mass.:
86415.51
Organism:
Homo sapiens (Human)
Description:
Q99835
Residue:
787
Sequence:
MAAARPARGPELPLLGLLLLLLLGDPGRGAASSGNATGPGPRSAGGSARRSAAVTGPPPPLSHCGRAAPCEPLRYNVCLGSVLPYGATSTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDRFPEGCTNEVQNIKFNSSGQCEVPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRLGEPTSNETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKQPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGQSDDEPKRIKKSKMIAKAFSKRHELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDISVTPVATPVPPEEQANLWLVEAEISPELQKRLGRKKKRRKRKKEVCPLAPPPELHPPAPAPSTIPRLPQLPRQKCLVAAGAWGAGDSCRQGAWTLVSNPFCPEPSPPQDPFLPSAPAPVAWAHGRRQGLGPIHSRTNLMDTELMDADSDF
  
Inhibitor
Name:
BDBM50352943
Synonyms:
CHEMBL1824909
Type:
Small organic molecule
Emp. Form.:
C23H14ClF3N2O2
Mol. Mass.:
442.818
SMILES:
FC(F)(F)c1oc(nc1-c1ccccc1)-c1ccc(NC(=O)c2ccccc2Cl)cc1
Structure:
Search PDB for entries with ligand similarity: