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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	125989-12-0
Molecular formula	C38H50N8O7S
IUPAC name	3-[(2S,5S,8S,14S,17S)-8-benzyl-5-(1H-indol-3-ylmethyl)-14-(2-methylpropyl)-17-(2-methylsulfanylethyl)-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propanamide
Molecular weight	762.927
Hydrogen bond acceptor	8
Hydrogen bond donor	8
XlogP	2.2
Synonyms	cyclo-[Gln-Trp-Phe-Gly-Leu-Met] L-659,877 Synthetic >98% nk2 tachykinin recept ZINC150344795 cyclo(Met-Gln-Trp-Phe-Gly-Leu) cyclo[Gln-Trp-Phe-Gly-Leu-Met] L-659,877, >95%, powder cyclo-(-Gln6-Trp7-Phe8-Gly9-Leu10-Met11-) L-659,877 L-659877 CHEMBL3349620 [ Show all ]
Inchi Key	HOUZPIDCIQWWLS-QKUYTOGTSA-N
Inchi ID	InChI=1S/C38H50N8O7S/c1-22(2)17-29-37(52)44-28(15-16-54-3)36(51)43-27(13-14-32(39)47)35(50)46-31(19-24-20-40-26-12-8-7-11-25(24)26)38(53)45-30(18-23-9-5-4-6-10-23)34(49)41-21-33(48)42-29/h4-12,20,22,27-31,40H,13-19,21H2,1-3H3,(H2,39,47)(H,41,49)(H,42,48)(H,43,51)(H,44,52)(H,45,53)(H,46,50)/t27-,28-,29-,30-,31-/m0/s1
PubChem CID	9875437
ChEMBL	CHEMBL3349620
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
446435	Neuromedin-K receptor	P16177	Tacr3	Rattus norvegicus (Rat)	452
446436	Substance-K receptor	P16610	Tacr2	Rattus norvegicus (Rat)	390
446434	Substance-P receptor	P30547	TACR1	Cavia porcellus (Guinea pig)	407

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