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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	SMR000077435
Molecular formula	C22H29N5O3S
IUPAC name	2-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide
Molecular weight	443.566
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.9
Synonyms	HMS2436K24 STK139645 2-(4-allyl-5-{[2-(cyclohexylamino)-2-oxoethyl]thio}-4H-1,2,4-triazol-3-yl)-N-(3-methoxyphenyl)acetamide MLS002546812 AC1MGCQM CHEMBL1466031 SR-01000280385 MCULE-8836521184 ZINC4196589 2-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide MolPort-002-272-917 AKOS003668163 HMS1596G03 SR-01000280385-1 MLS000050261 2-[5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(3-methoxyphenyl)acetamide [ Show all ]
Inchi Key	AEOYDZOBAHWZDT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H29N5O3S/c1-3-12-27-19(14-20(28)24-17-10-7-11-18(13-17)30-2)25-26-22(27)31-15-21(29)23-16-8-5-4-6-9-16/h3,7,10-11,13,16H,1,4-6,8-9,12,14-15H2,2H3,(H,23,29)(H,24,28)
PubChem CID	2959029
ChEMBL	CHEMBL1466031
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
3696	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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