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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	CHEMBL3953985
Molecular formula	C23H21F6N5
IUPAC name	4,5-dimethyl-3-[4-(trifluoromethyl)phenyl]-6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridazine
Molecular weight	481.446
Hydrogen bond acceptor	11
Hydrogen bond donor	0
XlogP	5.3
Synonyms	SCHEMBL13490965
Inchi Key	GGAMUQQEZLZFLZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21F6N5/c1-14-15(2)21(32-31-20(14)16-3-5-17(6-4-16)22(24,25)26)34-11-9-33(10-12-34)19-8-7-18(13-30-19)23(27,28)29/h3-8,13H,9-12H2,1-2H3
PubChem CID	59191645
ChEMBL	CHEMBL3953985
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	>100.0 nM	None	ChEMBL

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