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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	CHEMBL2370431
Molecular formula	C28H29N3O5
IUPAC name	(2S)-2-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-3-phenylpropanoic acid
Molecular weight	487.556
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	0.7
Synonyms	BDBM50041956 2-{2-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoyl]-1,2,3,4-tetrahydro-3-isoquinolinylmethylamino}-3-phenyl-(2S)-propanoic acid 2-{2-[2-amino-3-(4-hydroxyphenyl)-(2S)-propanoyl]-1,2,3,4-tetrahydro-3-isoquinolinylcarboxamido}-3-phenyl-(2S)-propanoic acid
Inchi Key	AZBAOXFFFLMUBH-SDHOMARFSA-N
Inchi ID	InChI=1S/C28H29N3O5/c29-23(14-19-10-12-22(32)13-11-19)27(34)31-17-21-9-5-4-8-20(21)16-25(31)26(33)30-24(28(35)36)15-18-6-2-1-3-7-18/h1-13,23-25,32H,14-17,29H2,(H,30,33)(H,35,36)/t23-,24-,25-/m0/s1
PubChem CID	12093958
ChEMBL	CHEMBL2370431
IUPHAR	N/A
BindingDB	50041956
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
17964	Delta-type opioid receptor	P33533	Oprd1	Rattus norvegicus (Rat)	372
17966	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
17965	Mu-type opioid receptor	P33535	Oprm1	Rattus norvegicus (Rat)	398
17967	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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