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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	CHEMBL608099
Molecular formula	C38H47N9O7
IUPAC name	(3S,6S,9S,12S,18S)-6-(4-aminobutyl)-12-(hydroxymethyl)-3,9-bis(1H-indol-3-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Molecular weight	741.85
Hydrogen bond acceptor	8
Hydrogen bond donor	9
XlogP	1.1
Synonyms	BDBM50304259 (6S,9S,12S,15S,20aS)-9,15-bis((1H-indol-3-yl)methyl)-12-(4-aminobutyl)-6-(hydroxymethyl)tetradecahydropyrrolo[1,2-a][1,4,7,10,13,16]hexaazacyclooctadecine-1,4,7,10,13,16-hexaone
Inchi Key	CEKWORVPAYGYCK-XDIGFQIYSA-N
Inchi ID	InChI=1S/C38H47N9O7/c39-14-6-5-12-28-34(50)46-30(17-23-19-41-27-11-4-2-9-25(23)27)38(54)47-15-7-13-32(47)37(53)42-20-33(49)43-31(21-48)36(52)45-29(35(51)44-28)16-22-18-40-26-10-3-1-8-24(22)26/h1-4,8-11,18-19,28-32,40-41,48H,5-7,12-17,20-21,39H2,(H,42,53)(H,43,49)(H,44,51)(H,45,52)(H,46,50)/t28-,29-,30-,31-,32-/m0/s1
PubChem CID	46225607
ChEMBL	CHEMBL608099
IUPHAR	N/A
BindingDB	50304259
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.

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
39986	Urotensin-2 receptor	Q9UKP6	UTS2R	Homo sapiens (Human)	389

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