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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	CHEMBL421493
Molecular formula	C45H57N9O9S2
IUPAC name	(4S,7R,10S,13R,16S,19R)-10-(4-aminobutyl)-19-[[(2S)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-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-carboxylic acid
Molecular weight	932.125
Hydrogen bond acceptor	13
Hydrogen bond donor	11
XlogP	-0.2
Synonyms	BDBM50059092 (4S,7R,10S,13R,16S,19R)-10-(4-Amino-butyl)-19-((S)-2-amino-3-phenyl-propionylamino)-16-benzyl-7-((R)-1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid
Inchi Key	KDRDDUWNTUSPFR-IAGZALEMSA-N
Inchi ID	InChI=1S/C45H57N9O9S2/c1-26(55)38-44(61)53-37(45(62)63)25-65-64-24-36(52-39(56)31(47)20-27-12-4-2-5-13-27)43(60)50-34(21-28-14-6-3-7-15-28)41(58)51-35(22-29-23-48-32-17-9-8-16-30(29)32)42(59)49-33(40(57)54-38)18-10-11-19-46/h2-9,12-17,23,26,31,33-38,48,55H,10-11,18-22,24-25,46-47H2,1H3,(H,49,59)(H,50,60)(H,51,58)(H,52,56)(H,53,61)(H,54,57)(H,62,63)/t26-,31+,33+,34+,35-,36+,37-,38-/m1/s1
PubChem CID	44311993
ChEMBL	CHEMBL421493
IUPHAR	N/A
BindingDB	50059092
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
166626	Somatostatin receptor type 2	P30875	Sstr2	Mus musculus (Mouse)	369
166627	Somatostatin receptor type 3	P30935	Sstr3	Mus musculus (Mouse)	428
166629	Somatostatin receptor type 4	P31391	SSTR4	Homo sapiens (Human)	388
166625	Somatostatin receptor type 5	P30938	Sstr5	Rattus norvegicus (Rat)	363
166628	Somatostatin receptor type 5	P35346	SSTR5	Homo sapiens (Human)	364

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