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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	SOMATOSTATIN
Molecular formula	C76H104N18O19S2
IUPAC name	(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-37-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-13,25,28-tribenzyl-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecazacyclooctatriacontane-4-carboxylic acid
Molecular weight	1637.9
Hydrogen bond acceptor	24
Hydrogen bond donor	22
XlogP	-3.1
Synonyms	Somatostatin, cyclic Somatostatinum [INN-Latin] UNII-F6R2N217HS 6E20216Q0L C76H104N18O19S2 D0T5RO HS-2027 Somatostatina SRIF 15-28-Somatostatin-28 AK552885 CCRIS 3629 F6R2N217HS LS-174755 Somatostatin (rat) Somatostatin [BAN:INN] Somatostatine [INN-French] Synthetic somatostatin-14 52769-04-7 BDBM81767 CHEMBL1823872 Growth hormone-release inhibiting factor: L-alanylglycyl-L-cysteinyl-L-lysyl-L-asparaginyl-L-phenylalanyl-L-phenylalanyl-L-tryptophyl-L-lysyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-cysteine cyclic (3->14) disulfide NCGC00167137-01 Somatostatin-1 Somatotropin release inhibiting factor CAS_38916-34-6 L-alanyl-N-[(4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-19,34-bis(4-aminobutyl)-31-(2-amino-2-oxoethyl)-13,25,28-tribenzyl-4-carboxy-10,16-bis[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-22-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2 Somatostatin (human) Somatostatin (sheep) Somatostatina [INN-Spanish] Synthetic cyclic growth hormone release-inhibiting factor 38916-34-6 AKOS015994634 CHEBI:64628 Growth hormone release inhibiting factor MFCD00076762 Somatostatin [INN:BAN] Somatostatinum UNII-6E20216Q0L 55914-64-2 BRD-K14681867-015-01-6 Cyclic Somatostatin H664 NHXLMOGPVYXJNR-ATOGVRKGSA-N Somatostatin-14 SR 9357 916S346 CB6417646 EINECS 254-186-5 L-alanylglycyl-L-cysteinyl-L-lysyl-L-asparaginyl-L-phenylalanyl-L-phenylalanyl-L-tryptophyl-L-lysyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-cysteine cyclic (3-14) disulfide Somatostatin (pigeon) Somatostatin acetate Somatostatine Synthetic growth hormone release-inhibiting hormone 51110-01-1 (Parent) Ala-Gly-cyclo-[Cys-Lys-Asn-Phe-Phe-Trp-Lys-Thr-Phe-Thr-Ser-Cys] Growth hormone-release inhibiting factor: L-alanylglycyl-L-cysteinyl-L-lysyl-L-asparaginyl-L-phenylalanyl-L-phenylalanyl-L-tryptophyl-L-lysyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-cysteine cyclic (3-14) disulfide MolPort-006-823-896 [ Show all ]
Inchi Key	NHXLMOGPVYXJNR-ATOGVRKGSA-N
Inchi ID	InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1
PubChem CID	16129706
ChEMBL	CHEMBL1823872
IUPHAR	N/A
BindingDB	81767
DrugBank	DB09099
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	0.14 nM	PMID23582449	ChEMBL
IC50	1.6 nM	PMID21806016	BindingDB,ChEMBL
IC50	1.9 nM	PMID24378707, PMID15658865	ChEMBL
Ki	0.1 nM	PMID7870182	BindingDB
Ki	0.1 nM	PMID8100350, PMID10433861	BindingDB
Ki	0.29 nM	PMID11520208	ChEMBL
Ki	0.36 nM	PMID11327607	ChEMBL
Ki	0.36 nM	PMID11327607	BindingDB
Ki	0.38 nM	PMID9724791, PMID12477342	BindingDB,ChEMBL
Ki	0.43 nM	PMID24342240	ChEMBL
Ki	0.56 nM	PMID10818260	BindingDB
Ki	0.63 nM	PMID9290757	BindingDB
Ki	0.631 nM	PMID12773038	ChEMBL
Ki	0.75 nM	PMID10598788	BindingDB
Ki	0.76 nM	PMID9650799	BindingDB
Ki	0.83 nM	PMID10598788, PMID9650799	BindingDB
Ki	1.1 nM	PMID7988476	BindingDB
Ki	1.12 nM	PMID10598788	BindingDB
Ki	2.1 nM	PMID1328199	BindingDB
Ki	2.25 nM	PMID9600011	BindingDB
Ki	2.3 nM	PMID16220980	ChEMBL
pKD	9.08 -	PMID11448228	ChEMBL

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