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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	CHEMBL496014
Molecular formula	C24H23N5
IUPAC name	1-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)phthalazine
Molecular weight	381.483
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.4
Synonyms	AKOS024351099 4-benzyl-1-(4-(2-pyridyl)piperazinyl)phthalazine ST50975643 BDBM50269041 MCULE-5522855166 ZINC16480912 1-Benzyl-4-(4-pyridin-2-yl-piperazin-1-yl)phthalazine SCHEMBL3602651 [ Show all ]
Inchi Key	FCTUWPXBMWNCFN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23N5/c1-2-8-19(9-3-1)18-22-20-10-4-5-11-21(20)24(27-26-22)29-16-14-28(15-17-29)23-12-6-7-13-25-23/h1-13H,14-18H2
PubChem CID	18526613
ChEMBL	CHEMBL496014
IUPHAR	N/A
BindingDB	50269041
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	258.0 nM	PMID19469545	BindingDB,ChEMBL
IC50	643.0 nM	PMID19469545	BindingDB,ChEMBL
IC50	772.0 nM	PMID19469545	BindingDB,ChEMBL

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