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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	MLS001031372
Molecular formula	C28H29N3O3
IUPAC name	4-[3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Molecular weight	455.558
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.6
Synonyms	ChemDiv1_015417 SMR000634550 HMS630M17 AKOS001584504 MolPort-007-921-656 cid_4327876 SR-01000573930 2-(3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl}phenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione MCULE-4250666108 AKOS021710151 CHEMBL1414359 Oprea1_435690 HMS2951L19 SR-01000573930-1 AC1N7I1A BDBM75846 [ Show all ]
Inchi Key	ABGKZMLRHLADIO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H29N3O3/c1-17-5-3-8-23(18(17)2)29-11-13-30(14-12-29)26(32)21-6-4-7-22(16-21)31-27(33)24-19-9-10-20(15-19)25(24)28(31)34/h3-10,16,19-20,24-25H,11-15H2,1-2H3
PubChem CID	4327876
ChEMBL	CHEMBL1414359
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
463050	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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