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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	CHEMBL522241
Molecular formula	C26H21F3N6
IUPAC name	6-[4-[4-[[4-(trifluoromethyl)phenyl]methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile
Molecular weight	474.491
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	5.0
Synonyms	SCHEMBL3604514 6-{4-[4-(4-Trifluoromethylbenzyl)phthalazin-1-yl]piperazin-1-yl}nicotinonitrile BDBM50268547
Inchi Key	HHXPOXSFJXKWIY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H21F3N6/c27-26(28,29)20-8-5-18(6-9-20)15-23-21-3-1-2-4-22(21)25(33-32-23)35-13-11-34(12-14-35)24-10-7-19(16-30)17-31-24/h1-10,17H,11-15H2
PubChem CID	25065893
ChEMBL	CHEMBL522241
IUPHAR	N/A
BindingDB	50268547
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	226.0 nM	PMID19469545	BindingDB,ChEMBL
IC50	366.0 nM	PMID19469545	BindingDB,ChEMBL
IC50	1239.0 nM	PMID19469545	BindingDB,ChEMBL

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