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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	CHEMBL126243
Molecular formula	C32H37N5O5
IUPAC name	1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight	571.678
Hydrogen bond acceptor	6
Hydrogen bond donor	5
XlogP	2.3
Synonyms	BDBM50106276 1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide (Endomorphin-2)
Inchi Key	XIJHWXXXIMEHKW-JRVZRWKPSA-N
Inchi ID	InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26+,27+,28?/m0/s1
PubChem CID	44350751
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50106276
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
392626	Kappa-type opioid receptor	P41144	OPRK1	Cavia porcellus (Guinea pig)	380
392627	Kappa-type opioid receptor	Q2KIP6	OPRK1	Bos taurus (Bovine)	380
392624	Mu-type opioid receptor	P33535	Oprm1	Rattus norvegicus (Rat)	398
392625	Mu-type opioid receptor	P79350	OPRM1	Bos taurus (Bovine)	401
392628	Mu-type opioid receptor	P42866	Oprm1	Mus musculus (Mouse)	398

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