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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.
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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	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(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 cyclo-(Pro-Phe-D-Trp-Lys-Thr-Phe) L-363,301 [ 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	8913.0 nM	PMID9667958	BindingDB,ChEMBL
Ki	<1000.0 nM	PMID9667958	BindingDB,ChEMBL
Ki	>100.0 nM	PMID12773038	ChEMBL
Ki	100.0 nM	PMID8769372	BindingDB
Ki	2290.86 nM	PMID10598788	BindingDB
Ki	2454.7 nM	PMID10598788	BindingDB
Ki	2454.71 nM	PMID9650799	BindingDB
Ki	8709.63 nM	PMID10598788	BindingDB
Ki	8709.64 nM	PMID9650799	BindingDB

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