Reaction Details Report a problem with these data
Target
Smoothened homolog
Ligand
BDBM50232973
Substrate
n/a
Meas. Tech.
ChEMBL_853486 (CHEMBL2155383)
IC50
1900±n/a nM
Citation
 Dockendorff, C; Nagiec, MM; Weïwer, M; Buhrlage, S; Ting, A; Nag, PP; Germain, A; Kim, HJ; Youngsaye, W; Scherer, C; Bennion, M; Xue, L; Stanton, BZ; Lewis, TA; Macpherson, L; Palmer, M; Foley, MA; Perez, JR; Schreiber, SL Macrocyclic Hedgehog Pathway Inhibitors: Optimization of Cellular Activity and Mode of Action Studies. ACS Med Chem Lett 3:808-813 (2012) [PubMed]  Article 
Target
Name:
Smoothened homolog
Synonyms:
SMO_MOUSE | Smo | Smoh
Type:
PROTEIN
Mol. Mass.:
87472.73
Organism:
Mus musculus
Description:
ChEMBL_1510377
Residue:
793
Sequence:
MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF
  
Inhibitor
Name:
BDBM50232973
Synonyms:
CHEMBL254129 | CYCLOPAMINE
Type:
Small organic molecule
Emp. Form.:
C27H41NO2
Mol. Mass.:
411.6199
SMILES:
C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC2=C1C |r,c:32,t:18|
Structure:
Search PDB for entries with ligand similarity: