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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	CHEMBL2043430
Molecular formula	C22H17N3O3
IUPAC name	N-[3-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Molecular weight	371.396
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.7
Synonyms	N-[3-(1H-benzimidazol-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide 333435-02-2 CCG-3777 SCHEMBL13679622 AKOS001634658 EU-0039737 MolPort-002-179-965 CB01103 Oprea1_214137 F0882-0550 SMSF0011414 BDBM50385637 N-(3-(1H-benzo[d]imidazol-2-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamide CBMicro_013089 Oprea1_723252 AC1MEMLL MCULE-1832082885 ZINC5062047 BIM-0012824.P001 [ Show all ]
Inchi Key	GFIVAICXNHIFGK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H17N3O3/c26-22(15-8-9-19-20(13-15)28-11-10-27-19)23-16-5-3-4-14(12-16)21-24-17-6-1-2-7-18(17)25-21/h1-9,12-13H,10-11H2,(H,23,26)(H,24,25)
PubChem CID	2880709
ChEMBL	CHEMBL2043430
IUPHAR	N/A
BindingDB	50385637
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	5.0 nM	PMID24900436	BindingDB,ChEMBL

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