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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 1
Species	Homo sapiens (Human)
Gene	SSTR1
Synonym	SRIF-2 SS-1-R SS1-R SS1R SST1 receptor
Disease	Alzheimer disease Cushing's disease Neuroendocrine cancer
Length	391
Amino acid sequence	MFPNGTASSPSSSPSPSPGSCGEGGGSRGPGAGAADGMEEPGRNASQNGTLSEGQGSAILISFIYSVVCLVGLCGNSMVIYVILRYAKMKTATNIYILNLAIADELLMLSVPFLVTSTLLRHWPFGALLCRLVLSVDAVNMFTSIYCLTVLSVDRYVAVVHPIKAARYRRPTVAKVVNLGVWVLSLLVILPIVVFSRTAANSDGTVACNMLMPEPAQRWLVGFVLYTFLMGFLLPVGAICLCYVLIIAKMRMVALKAGWQQRKRSERKITLMVMMVVMVFVICWMPFYVVQLVNVFAEQDDATVSQLSVILGYANSCANPILYGFLSDNFKRSFQRILCLSWMDNAAEEPVDYYATALKSRAYSVEDFQPENLESGGVFRNGTCTSRITTL
UniProt	P30872
Protein Data Bank	N/A
GPCR-HGmod model	P30872
3D structure model	This predicted structure model is from GPCR-EXP P30872.
BioLiP	N/A
Therapeutic Target Database	T16633
ChEMBL	CHEMBL1917
IUPHAR	355
DrugBank	BE0000452

Ligand

Name	CHEMBL421362
Molecular formula	C44H54N8O7
IUPAC name	(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3,15-dibenzyl-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Molecular weight	806.965
Hydrogen bond acceptor	8
Hydrogen bond donor	8
XlogP	3.4
Synonyms	cyclo-(Pro-Phe-D-Trp-Lys-Thr-Phe) L-363,301 cyclo[Pro(1)-Phe(2)-D-Trp(3)-Lys(4)-Thr(5)-Phe(6)] BDBM50065453 L-363301 cyclo(Pro-Phe-D-Trp-Lys-Thr-Phe) (5S,8S,11S,14R,17S,19aS)-11-(4-Amino-butyl)-5,17-dibenzyl-8-((R)-1-hydroxy-ethyl)-14-(1H-indol-3-ylmethyl)-tetradecahydro-3a,6,9,12,15,18-hexaaza-cyclopentacyclooctadecene-4,7,10,13,16,19-hexaone L-361,301 [ Show all ]
Inchi Key	FHSGULRVYLHXFO-FFNFELIASA-N
Inchi ID	InChI=1S/C44H54N8O7/c1-27(53)38-43(58)50-36(24-29-15-6-3-7-16-29)44(59)52-22-12-20-37(52)42(57)49-34(23-28-13-4-2-5-14-28)40(55)48-35(25-30-26-46-32-18-9-8-17-31(30)32)41(56)47-33(39(54)51-38)19-10-11-21-45/h2-9,13-18,26-27,33-38,46,53H,10-12,19-25,45H2,1H3,(H,47,56)(H,48,55)(H,49,57)(H,50,58)(H,51,54)/t27-,33+,34+,35-,36+,37+,38+/m1/s1
PubChem CID	9918828
ChEMBL	CHEMBL421362
IUPHAR	N/A
BindingDB	50065453
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	4570.0 nM	PMID9667958	BindingDB,ChEMBL
Ki	<1000.0 nM	PMID9667958	BindingDB,ChEMBL
Ki	630.95 nM	PMID8769372	BindingDB
Ki	630.96 nM	PMID12773038	ChEMBL
Ki	1000.0 nM	PMID8100350, PMID7870182	BindingDB
Ki	2187.76 nM	PMID10598788	BindingDB
Ki	4168.69 nM	PMID10598788, PMID9650799	BindingDB
Ki	4786.3 nM	PMID9650799	BindingDB
Ki	4786.3 nM	PMID10598788	BindingDB

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