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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	CHEMBL387506
Molecular formula	C38H44N6O5
IUPAC name	(2S,5S,8R,12R)-5,8-dibenzyl-2-(1H-indol-3-ylmethyl)-12-(oxan-4-ylamino)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone
Molecular weight	664.807
Hydrogen bond acceptor	6
Hydrogen bond donor	6
XlogP	3.4
Synonyms	N/A
Inchi Key	PSMURYWPGARIKS-ODRDEDCPSA-N
Inchi ID	InChI=1S/C38H44N6O5/c45-35-22-34(41-28-15-17-49-18-16-28)36(46)40-24-29(19-25-9-3-1-4-10-25)42-37(47)32(20-26-11-5-2-6-12-26)44-38(48)33(43-35)21-27-23-39-31-14-8-7-13-30(27)31/h1-14,23,28-29,32-34,39,41H,15-22,24H2,(H,40,46)(H,42,47)(H,43,45)(H,44,48)/t29-,32+,33+,34-/m1/s1
PubChem CID	11366268
ChEMBL	CHEMBL387506
IUPHAR	N/A
BindingDB	N/A
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
267736	Neuromedin-K receptor	P30098	TACR3	Cavia porcellus (Guinea pig)	440
267735	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
267738	Substance-K receptor	P16610	Tacr2	Rattus norvegicus (Rat)	390
267739	Substance-K receptor	P79218	TACR2	Oryctolagus cuniculus (Rabbit)	384
267737	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407

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