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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	TCMDC-123502
Molecular formula	C18H21Cl2NO
IUPAC name	2-(butan-2-ylamino)-1,1-bis(4-chlorophenyl)ethanol
Molecular weight	338.272
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	4.7
Synonyms	MCULE-8508219484 AC1MX0V2 CHEMBL529640 Oprea1_408206 1J-343S HMS3359O18 2-[(butan-2-yl)amino]-1,1-bis(4-chlorophenyl)ethan-1-ol AKOS005082621 MLS000692185 GNF-Pf-4606 SMR000333848 2-(butan-2-ylamino)-1,1-bis(4-chlorophenyl)ethanol KS-000032D0 321432-92-2 MMV665928 HMS2637G14 2-(sec-butylamino)-1,1-bis(4-chlorophenyl)-1-ethanol [ Show all ]
Inchi Key	BQRBPWDQFAYRAI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H21Cl2NO/c1-3-13(2)21-12-18(22,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,21-22H,3,12H2,1-2H3
PubChem CID	3808173
ChEMBL	CHEMBL529640
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
30572	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
30574	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
30573	Thyrotropin-releasing hormone receptor	P34981	TRHR	Homo sapiens (Human)	398

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