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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL3959511
Molecular formula	C30H36F3N5O2
IUPAC name	butyl 6-[4-[4,5-dimethyl-6-(4-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylate
Molecular weight	555.646
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	6.7
Synonyms	SCHEMBL13490981
Inchi Key	BRDQCZVOORYBQS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C30H36F3N5O2/c1-6-7-16-40-29(39)24-18-34-26(17-25(24)30(31,32)33)37-12-14-38(15-13-37)28-21(5)20(4)27(35-36-28)23-10-8-22(9-11-23)19(2)3/h8-11,17-19H,6-7,12-16H2,1-5H3
PubChem CID	59191573
ChEMBL	CHEMBL3959511
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	100.0 nM	None	ChEMBL
IC50	1000.0 nM	None	ChEMBL

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