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Target
Smoothened homolog
Ligand
BDBM50524160
Substrate
n/a
Meas. Tech.
ChEMBL_1892331 (CHEMBL4394252)
IC50
7.1±n/a nM
Citation
 Song, S; Jiang, J; Zhao, L; Wang, Q; Lu, W; Zheng, C; Zhang, J; Ma, H; Tian, S; Zheng, J; Luo, L; Li, Y; Yang, ZJ; Zhang, X Structural optimization on a virtual screening hit of smoothened receptor. Eur J Med Chem 172:1-15 (2019) [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:
BDBM50524160
Synonyms:
CHEMBL4441529
Type:
Small organic molecule
Emp. Form.:
C25H34N8OS
Mol. Mass.:
494.655
SMILES:
C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(CC1)c1nnc(s1)-n1nccc1CNc1ccc(C)cn1 |r|
Structure:
Search PDB for entries with ligand similarity: