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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	MLS000122330
Molecular formula	C23H25ClN6S
IUPAC name	1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine
Molecular weight	453.005
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.3
Synonyms	AKOS024317254 [(1-tert-Butyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-(2-chloro-benzyl)-pyridin-3-ylmethyl-amine 1-(1-tert-butyl-5-tetrazolyl)-N-[(2-chlorophenyl)methyl]-N-(3-pyridinylmethyl)-1-thiophen-2-ylmethanamine AC1MLEZ6 HMS2363M19 ASN 05088562 MLS002538310 CHEMBL1432870 [(1-tert-butyltetrazol-5-yl)-(2-thienyl)methyl]-(2-chlorobenzyl)-(3-pyridylmethyl)amine 1-(1-tert-butyltetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-ylmethanamine AKOS000797788 MCULE-9756442890 BDBM61421 SMR000119806 1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-N-[(2-chlorophenyl)methyl]-N-(pyridin-3-ylmethyl)-1-thiophen-2-yl-methanamine cid_3193699 [ Show all ]
Inchi Key	BHRDJGZWRNNORC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25ClN6S/c1-23(2,3)30-22(26-27-28-30)21(20-11-7-13-31-20)29(15-17-8-6-12-25-14-17)16-18-9-4-5-10-19(18)24/h4-14,21H,15-16H2,1-3H3
PubChem CID	3193699
ChEMBL	CHEMBL1432870
IUPHAR	N/A
BindingDB	61421
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
23988	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319
23990	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
23989	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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