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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.
Go to the ligand page and check other GPCRs which it interacts with.
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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	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	L001102 NSC_3086456 CAS_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	7.3 nM	PMID8521788	BindingDB
Ki	127.0 nM	PMID10433861, PMID7988476	PDSP,BindingDB
Ki	1000.0 nM	PMID9600011, PMID8769372	BindingDB
Ki	4265.79 nM	PMID10598788	PDSP
Ki	4265.8 nM	PMID9650799	PDSP
Ki	4949.0 nM	PMID9724791	BindingDB
Ki	7762.47 nM	PMID10598788	PDSP
Ki	7762.47 nM	PMID9650799	PDSP
Ki	9120.1 nM	PMID10598788	PDSP

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