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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 4
Species	Homo sapiens (Human)
Gene	SSTR4
Synonym	SS4R SS4-R SS-4-R SRIF2B SST4 receptor
Disease	N/A
Length	388
Amino acid sequence	MSAPSTLPPGGEEGLGTAWPSAANASSAPAEAEEAVAGPGDARAAGMVAIQCIYALVCLVGLVGNALVIFVILRYAKMKTATNIYLLNLAVADELFMLSVPFVASSAALRHWPFGSVLCRAVLSVDGLNMFTSVFCLTVLSVDRYVAVVHPLRAATYRRPSVAKLINLGVWLASLLVTLPIAIFADTRPARGGQAVACNLQWPHPAWSAVFVVYTFLLGFLLPVLAIGLCYLLIVGKMRAVALRAGWQQRRRSEKKITRLVLMVVVVFVLCWMPFYVVQLLNLFVTSLDATVNHVSLILSYANSCANPILYGFLSDNFRRFFQRVLCLRCCLLEGAGGAEEEPLDYYATALKSKGGAGCMCPPLPCQQEALQPEPGRKRIPLTRTTTF
UniProt	P31391
Protein Data Bank	N/A
GPCR-HGmod model	P31391
3D structure model	This predicted structure model is from GPCR-EXP P31391.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1853
IUPHAR	358
DrugBank	BE0009273

Ligand

Name	CHEMBL3350037
Molecular formula	C49H66N10O10S2
IUPAC name	(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-N-[(2S,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight	1019.25
Hydrogen bond acceptor	14
Hydrogen bond donor	13
XlogP	1.0
Synonyms	BDBM50192018
Inchi Key	DEQANNDTNATYII-JDBXKHNRSA-N
Inchi ID	InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
PubChem CID	13690207
ChEMBL	CHEMBL3350037
IUPHAR	N/A
BindingDB	50192018
DrugBank	N/A
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
IC50	3.0 nM	PMID9216843	ChEMBL
Ki	<1000.0 nM	PMID16220980, PMID24342240	ChEMBL
Ki	398.0 nM	MedChemComm, (2012) 3:12:1531	ChEMBL
Ki	>1000.0 nM	PMID12773038	ChEMBL
Ki	1904.0 nM	PMID9822540	ChEMBL
pKD	5.76 -	PMID11448228	ChEMBL

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