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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	CHEMBL258704
Molecular formula	C29H30N4O3S
IUPAC name	(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-(1,3-benzothiazol-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
Molecular weight	514.644
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	4.1
Synonyms	D08CXZ H-Dmt-Tic-NH-CH2-Bta BDBM50375296
Inchi Key	AWMRTINMSUQIBM-ZCYQVOJMSA-N
Inchi ID	InChI=1S/C29H30N4O3S/c1-17-11-21(34)12-18(2)22(17)14-23(30)29(36)33-16-20-8-4-3-7-19(20)13-25(33)28(35)31-15-27-32-24-9-5-6-10-26(24)37-27/h3-12,23,25,34H,13-16,30H2,1-2H3,(H,31,35)/t23-,25-/m0/s1
PubChem CID	44451667
ChEMBL	CHEMBL258704
IUPHAR	N/A
BindingDB	50375296
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
16168	Delta-type opioid receptor	P32300	Oprd1	Mus musculus (Mouse)	372
16169	Delta-type opioid receptor	P33533	Oprd1	Rattus norvegicus (Rat)	372
16167	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98
16170	Mu-type opioid receptor	P33535	Oprm1	Rattus norvegicus (Rat)	398

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