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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	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	Obelin
Molecular formula	C26H32N4O4
IUPAC name	[(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
Molecular weight	464.566
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.6
Synonyms	[(3R,4aR,10aR)-6-methoxy-1-methyl-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinolin-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone GTPL2030 AC1NSKIL SRA880 CHEMBL251541 NVP-SRA880 BDBM50423297 ZINC28949859 D00MGT [ Show all ]
Inchi Key	INULNSAIIZKOQE-YOSAUDMPSA-N
Inchi ID	InChI=1S/C26H32N4O4/c1-27-17-20(14-19-15-23-18(16-24(19)27)4-3-5-25(23)34-2)26(31)29-12-10-28(11-13-29)21-6-8-22(9-7-21)30(32)33/h3-9,19-20,24H,10-17H2,1-2H3/t19-,20-,24-/m1/s1
PubChem CID	5311377
ChEMBL	CHEMBL251541
IUPHAR	2030
BindingDB	50423297
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	8709.64 nM	PMID17507221	ChEMBL
Kd	8710.0 nM	PMID17507221	BindingDB

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