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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	3-chloro-5-(phenethylamino)-4-isothiazolecarbonitrile
Molecular formula	C12H10ClN3S
IUPAC name	3-chloro-5-(2-phenylethylamino)-1,2-thiazole-4-carbonitrile
Molecular weight	263.743
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.5
Synonyms	3-chloro-5-(2-phenylethylamino)-1,2-thiazole-4-carbonitrile AC1MXBEM MCULE-6724731175 MS-2858 866009-33-8 HMS2624F13 SR-01000308664-1 3-chloro-5-(2-phenylethylamino)-4-isothiazolecarbonitrile AKOS005110113 MLS000696339 3-chloro-5-(phenethylamino)isothiazole-4-carbonitrile CHEMBL1312140 SMR000337537 3-chloranyl-5-(2-phenylethylamino)-1,2-thiazole-4-carbonitrile KS-0000288S ZINC4109936 3-chloro-5-(phenethylamino)-1,2-thiazole-4-carbonitrile BDBM96700 MolPort-002-887-478 3-chloro-5-[(2-phenylethyl)amino]-1,2-thiazole-4-carbonitrile cid_3787753 SR-01000308664 [ Show all ]
Inchi Key	BOLGJEONPMUAMD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H10ClN3S/c13-11-10(8-14)12(17-16-11)15-7-6-9-4-2-1-3-5-9/h1-5,15H,6-7H2
PubChem CID	3787753
ChEMBL	CHEMBL1312140
IUPHAR	N/A
BindingDB	96700
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
28900	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
28899	Trace amine-associated receptor 1	Q96RJ0	TAAR1	Homo sapiens (Human)	339

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