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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Smoothened homolog
Species	Mus musculus (Mouse)
Gene	Smo
Synonym	smoothened SMOH SMO FZD11 frizzled family member 11 bnb smoothened, frizzled class receptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	793
Amino acid sequence	MAAGRPVRGPELAPRRLLQLLLLVLLGGPGRGAALSGNVTGPGPHSASGSSRRDVPVTSPPPPLLSHCGRAAHCEPLRYNVCLGSALPYGATTTLLAGDSDSQEEAHGKLVLWSGLRNAPRCWAVIQPLLCAVYMPKCENDRVELPSRTLCQATRGPCAIVERERGWPDFLRCTPDHFPEGCPNEVQNIKFNSSGQCEAPLVRTDNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSNRYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRFGEPTSSETLSCVIIFVIVYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQVDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEKAASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPTKKPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGHSDDEPKRIKKSKMIAKAFSKRRELLQNPGQELSFSMHTVSHDGPVAGLAFDLNEPSADVSSAWAQHVTKMVARRGAILPQDVSVTPVATPVPPEEQANMWLVEAEISPELEKRLGRKKKRRKRKKEVCPLRPAPELHHSAPVPATSAVPRLPQLPRQKCLVAANAWGTGESCRQGAWTLVSNPFCPEPSPHQDPFLPGASAPRVWAQGRLQGLGSIHSRTNLMEAEILDADSDF
UniProt	P56726
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL6080
IUPHAR	239
DrugBank	N/A

Ligand

Name	CHEMBL2152381
Molecular formula	C24H25Cl2N3O4
IUPAC name	N-[(4-chlorophenyl)methyl]-2-[(3R,8E,11S)-3-(5-chloropyridin-2-yl)-5,12-dioxo-1-oxa-4-azacyclododec-8-en-11-yl]acetamide
Molecular weight	490.381
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.0
Synonyms	BDBM50392981
Inchi Key	FYOPZVCSTLIOCA-CBPPOCRISA-N
Inchi ID	InChI=1S/C24H25Cl2N3O4/c25-18-8-6-16(7-9-18)13-28-23(31)12-17-4-2-1-3-5-22(30)29-21(15-33-24(17)32)20-11-10-19(26)14-27-20/h1-2,6-11,14,17,21H,3-5,12-13,15H2,(H,28,31)(H,29,30)/b2-1+/t17-,21-/m0/s1
PubChem CID	71453058
ChEMBL	CHEMBL2152381
IUPHAR	N/A
BindingDB	50392981
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4300.0 nM	PMID23074541	BindingDB,ChEMBL
Imax	85.0 %	PMID23074541	ChEMBL

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