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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	CHEMBL380594
Molecular formula	C28H31Cl2N5O3S
IUPAC name	4-[4-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-(thiophene-3-carbonylamino)phenyl]-N-ethyl-1,4-diazepane-1-carboxamide
Molecular weight	588.548
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	4.9
Synonyms	BDBM50175174 SCHEMBL4589273 4-(4-((2,4-dichlorophenethyl)carbamoyl)-2-(thiophene-3-carboxamido)phenyl)-N-ethyl-1,4-diazepane-1-carboxamide
Inchi Key	BKEMKOBEOIMXHN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H31Cl2N5O3S/c1-2-31-28(38)35-12-3-11-34(13-14-35)25-7-5-20(16-24(25)33-27(37)21-9-15-39-18-21)26(36)32-10-8-19-4-6-22(29)17-23(19)30/h4-7,9,15-18H,2-3,8,10-14H2,1H3,(H,31,38)(H,32,36)(H,33,37)
PubChem CID	15605012
ChEMBL	CHEMBL380594
IUPHAR	N/A
BindingDB	50175174
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
25708	C-X-C chemokine receptor type 3	P49682	CXCR3	Homo sapiens (Human)	368

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