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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.
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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	CHEMBL2160067
Molecular formula	C28H25ClN6O
IUPAC name	N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-[(2R)-2-methylmorpholin-4-yl]-1,6-naphthyridin-5-amine
Molecular weight	496.999
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.6
Synonyms	SCHEMBL1624551 BDBM50394397 N-[3-(5-Phenyl-1H-imidazole-2-yl)-4-chlorophenyl]-2-[(2R)-2alpha-methylmorpholino]-1,6-naphthyridine-5-amine
Inchi Key	BSQHKYLMKDAHEX-GOSISDBHSA-N
Inchi ID	InChI=1S/C28H25ClN6O/c1-18-17-35(13-14-36-18)26-10-8-21-24(33-26)11-12-30-27(21)32-20-7-9-23(29)22(15-20)28-31-16-25(34-28)19-5-3-2-4-6-19/h2-12,15-16,18H,13-14,17H2,1H3,(H,30,32)(H,31,34)/t18-/m1/s1
PubChem CID	49840814
ChEMBL	CHEMBL2160067
IUPHAR	N/A
BindingDB	50394397
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	0.6 nM	PMID23036954	BindingDB,ChEMBL
IC50	1.6 nM	PMID23036954	BindingDB,ChEMBL
IC50	11.0 nM	PMID23036954	BindingDB,ChEMBL

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