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GLASS

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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	CHEMBL3349593
Molecular formula	C38H50N8O7
IUPAC name	(3S,6S,9S,12R,15S,18S)-9-(4-aminobutyl)-3-benzyl-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-15-methyl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Molecular weight	730.867
Hydrogen bond acceptor	8
Hydrogen bond donor	8
XlogP	1.8
Synonyms	BDBM84645 Cyclo[L-Pro-L-Ala-D-Trp-L-Lys-L-Thr-L-Phe-] L-363,376 cyclo(Pro-Ala-Trp-Lys-Thr-Phe)
Inchi Key	PHCCTJXHGSJHSO-YBJQOMKASA-N
Inchi ID	InChI=1S/C38H50N8O7/c1-22-33(48)43-29(20-25-21-40-27-14-7-6-13-26(25)27)35(50)42-28(15-8-9-17-39)34(49)45-32(23(2)47)37(52)44-30(19-24-11-4-3-5-12-24)38(53)46-18-10-16-31(46)36(51)41-22/h3-7,11-14,21-23,28-32,40,47H,8-10,15-20,39H2,1-2H3,(H,41,51)(H,42,50)(H,43,48)(H,44,52)(H,45,49)/t22-,23+,28-,29+,30-,31-,32-/m0/s1
PubChem CID	57339805
ChEMBL	N/A
IUPHAR	N/A
BindingDB	84645
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	1000.0 nM	PMID8100350	BindingDB

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