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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Somatostatin receptor type 3
Species	Homo sapiens (Human)
Gene	SSTR3
Synonym	SSR-28 SS3R SS3-R SS-3-R SRIF1C somatostatin receptor 28 SST3 receptor [ Show all ]
Disease	N/A
Length	418
Amino acid sequence	MDMLHPSSVSTTSEPENASSAWPPDATLGNVSAGPSPAGLAVSGVLIPLVYLVVCVVGLLGNSLVIYVVLRHTASPSVTNVYILNLALADELFMLGLPFLAAQNALSYWPFGSLMCRLVMAVDGINQFTSIFCLTVMSVDRYLAVVHPTRSARWRTAPVARTVSAAVWVASAVVVLPVVVFSGVPRGMSTCHMQWPEPAAAWRAGFIIYTAALGFFGPLLVICLCYLLIVVKVRSAGRRVWAPSCQRRRRSERRVTRMVVAVVALFVLCWMPFYVLNIVNVVCPLPEEPAFFGLYFLVVALPYANSCANPILYGFLSYRFKQGFRRVLLRPSRRVRSQEPTVGPPEKTEEEDEEEEDGEESREGGKGKEMNGRVSQITQPGTSGQERPPSRVASKEQQLLPQEASTGEKSSTMRISYL
UniProt	P32745
Protein Data Bank	N/A
GPCR-HGmod model	P32745
3D structure model	This predicted structure model is from GPCR-EXP P32745.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2028
IUPHAR	357
DrugBank	BE0003529

Ligand

Name	CHEMBL2204931
Molecular formula	C24H21FN6
IUPAC name	(1S,3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-(1-methylpyrazol-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Molecular weight	412.472
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	3.0
Synonyms	BDBM50400522
Inchi Key	UCGLIDADIQNGPX-IRLDBZIGSA-N
Inchi ID	InChI=1S/C24H21FN6/c1-31-13-15(11-27-31)22-23-18(17-4-2-3-5-19(17)28-23)10-20(29-22)24-26-12-21(30-24)14-6-8-16(25)9-7-14/h2-9,11-13,20,22,28-29H,10H2,1H3,(H,26,30)/t20-,22+/m1/s1
PubChem CID	71457622
ChEMBL	CHEMBL2204931
IUPHAR	N/A
BindingDB	50400522
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	7.2 nM	PMID24900499	BindingDB,ChEMBL
IC50	33.0 nM	PMID24900499	BindingDB,ChEMBL
Inhibition	93.0 %	PMID24900499	ChEMBL

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