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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	CHEMBL438546
Molecular formula	C55H68N12O12S2
IUPAC name	(4R,7S,10R,13S,16S,19S,22R,25S)-13-(4-aminobutyl)-19-[(4-aminophenyl)methyl]-22-benzyl-25-(carbamoylamino)-10-[(1R)-1-hydroxyethyl]-7-[(4-hydroxyphenyl)methyl]-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24-heptaoxo-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carboxylic acid
Molecular weight	1153.34
Hydrogen bond acceptor	16
Hydrogen bond donor	15
XlogP	-0.2
Synonyms	BDBM50136802
Inchi Key	AIPNJSQOAXBDQI-ZPOWECGVSA-N
Inchi ID	InChI=1S/C55H68N12O12S2/c1-30(68)46-53(76)64-42(25-33-16-20-36(69)21-17-33)50(73)65-45(54(77)78)29-81-80-28-44(66-55(58)79)52(75)62-40(23-31-9-3-2-4-10-31)48(71)61-41(24-32-14-18-35(57)19-15-32)49(72)63-43(26-34-27-59-38-12-6-5-11-37(34)38)51(74)60-39(47(70)67-46)13-7-8-22-56/h2-6,9-12,14-21,27,30,39-46,59,68-69H,7-8,13,22-26,28-29,56-57H2,1H3,(H,60,74)(H,61,71)(H,62,75)(H,63,72)(H,64,76)(H,65,73)(H,67,70)(H,77,78)(H3,58,66,79)/t30-,39+,40-,41+,42+,43+,44-,45+,46-/m1/s1
PubChem CID	44368354
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50136802
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
6427	Somatostatin receptor type 1	P30872	SSTR1	Homo sapiens (Human)	391
6429	Somatostatin receptor type 2	P30874	SSTR2	Homo sapiens (Human)	369
6428	Somatostatin receptor type 3	P32745	SSTR3	Homo sapiens (Human)	418
6426	Somatostatin receptor type 4	P31391	SSTR4	Homo sapiens (Human)	388
6425	Somatostatin receptor type 5	P35346	SSTR5	Homo sapiens (Human)	364

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