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Target
Smoothened homolog
Ligand
BDBM50574138
Substrate
n/a
Meas. Tech.
ChEMBL_2121923 (CHEMBL4831070)
IC50
20±n/a nM
Citation
 Zhao, F; Wu, Y; Zhou, F; Xue, D; Zhao, S; Lu, W; Liu, X; Hu, T; Qiu, Y; Li, R; Gu, T; Xu, Y; Xu, F; Zhong, G; Jiang, Z; Zhao, S; Tao, H Elucidation of Distinct Modular Assemblies of Smoothened Receptor by Bitopic Ligand Measurement. J Med Chem 64:13830-13840 (2021) [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:
BDBM50574138
Synonyms:
CHEMBL4858367
Type:
Small organic molecule
Emp. Form.:
C60H83Cl2N5O11S
Mol. Mass.:
1153.299
SMILES:
[H][C@@]12CCC(C(C)(O)CCCCCCOCCOCc3cn(CCOCCOCCOCCOCCS(=O)(=O)c4ccc(C(=O)Nc5ccc(Cl)c(c5)-c5ccccn5)c(Cl)c4)nn3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C |r,t:79|
Structure:
Search PDB for entries with ligand similarity: