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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.
Go to the GPCR page and check other ligands which interact with it.
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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	BDBM81766
Molecular formula	C44H56N8O7
IUPAC name	9-(4-aminobutyl)-3-benzyl-15-[(4-hydroxyphenyl)methyl]-12-(1H-indol-3-ylmethyl)-1,18-dimethyl-6-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Molecular weight	808.981
Hydrogen bond acceptor	8
Hydrogen bond donor	8
XlogP	3.9
Synonyms	CAS_3086456 L001102 NSC_3086456
Inchi Key	NPJIOCBFOAHEDO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C44H56N8O7/c1-26(2)38-43(58)50-37(23-28-12-6-5-7-13-28)44(59)52(4)27(3)39(54)48-35(22-29-17-19-31(53)20-18-29)41(56)49-36(24-30-25-46-33-15-9-8-14-32(30)33)42(57)47-34(40(55)51-38)16-10-11-21-45/h5-9,12-15,17-20,25-27,34-38,46,53H,10-11,16,21-24,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,58)(H,51,55)
PubChem CID	13105142
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81766
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
Ki	<10000.0 nM	PMID9724791, PMID10598788, PMID9650799	PDSP,BindingDB
Ki	1000.0 nM	PMID8521788, PMID7870182, PMID8769372, PMID9600011, PMID10433861, PMID7988476, PMID8100350	PDSP,BindingDB

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