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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL436783
Molecular formula	C49H65N11O10S
IUPAC name	(3R,6S,9R,12S,15R,18S)-9-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-18-[[(2R)-2-amino-3-phenylpropanoyl]amino]-15-benzyl-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacyclononadecane-3-carboxamide
Molecular weight	1000.19
Hydrogen bond acceptor	13
Hydrogen bond donor	13
XlogP	0.5
Synonyms	9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propionylamino)-15-benzyl-6-(1-hydroxy-ethyl)-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaaza-cyclononadecane-3-carboxylic acid (1-carbamoyl-2-hydroxy-propyl)-amide BDBM50059089
Inchi Key	DTIUHIDPXKIHMG-MNTGUQQXSA-N
Inchi ID	InChI=1S/C49H65N11O10S/c1-27(61)40(42(52)63)59-48(69)39-26-71-25-38(57-43(64)33(51)21-29-13-5-3-6-14-29)47(68)55-36(22-30-15-7-4-8-16-30)45(66)56-37(23-31-24-53-34-18-10-9-17-32(31)34)46(67)54-35(19-11-12-20-50)44(65)60-41(28(2)62)49(70)58-39/h3-10,13-18,24,27-28,33,35-41,53,61-62H,11-12,19-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,69)(H,60,65)/t27-,28-,33-,35-,36-,37+,38-,39+,40+,41+/m1/s1
PubChem CID	44311848
ChEMBL	CHEMBL436783
IUPHAR	N/A
BindingDB	50059089
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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
68359	Somatostatin receptor type 2	P30875	Sstr2	Mus musculus (Mouse)	369
68362	Somatostatin receptor type 3	P30935	Sstr3	Mus musculus (Mouse)	428
68361	Somatostatin receptor type 4	P31391	SSTR4	Homo sapiens (Human)	388
68360	Somatostatin receptor type 5	P35346	SSTR5	Homo sapiens (Human)	364
68363	Somatostatin receptor type 5	P30938	Sstr5	Rattus norvegicus (Rat)	363

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