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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	CHEMBL3604610
Molecular formula	C21H15ClN4O2S
IUPAC name	N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-chloropyridin-3-yl]benzamide
Molecular weight	422.887
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.2
Synonyms	BDBM50113484
Inchi Key	AMKJOZJHIFQMGK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H15ClN4O2S/c1-12(27)24-21-26-16-8-7-14(10-18(16)29-21)15-9-17(19(22)23-11-15)25-20(28)13-5-3-2-4-6-13/h2-11H,1H3,(H,25,28)(H,24,26,27)
PubChem CID	122185868
ChEMBL	CHEMBL3604610
IUPHAR	N/A
BindingDB	50113484
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	64.0 nM	PMID26119500	BindingDB,ChEMBL

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