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GLASS

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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	CHEMBL2152374
Molecular formula	C24H26ClN3O4
IUPAC name	N-[(4-chlorophenyl)methyl]-2-[(5E,11R)-2,9-dioxo-11-phenyl-1-oxa-3,10-diazacyclododec-5-en-3-yl]acetamide
Molecular weight	455.939
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.1
Synonyms	BDBM50392974
Inchi Key	IADGNCNLTQZFBV-FNLFUECCSA-N
Inchi ID	InChI=1S/C24H26ClN3O4/c25-20-12-10-18(11-13-20)15-26-23(30)16-28-14-6-2-5-9-22(29)27-21(17-32-24(28)31)19-7-3-1-4-8-19/h1-4,6-8,10-13,21H,5,9,14-17H2,(H,26,30)(H,27,29)/b6-2+/t21-/m0/s1
PubChem CID	71454802
ChEMBL	CHEMBL2152374
IUPHAR	N/A
BindingDB	50392974
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	<25000.0 nM	PMID23074541	BindingDB,ChEMBL
Imax	47.0 %	PMID23074541	ChEMBL

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