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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	CHEMBL450628
Molecular formula	C27H31N5O4
IUPAC name	(2S)-2-[(5S)-1-[2-(dimethylamino)ethyl]-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid
Molecular weight	489.576
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	0.4
Synonyms	BDBM50146645 (S)-[(S)-1-(2-Dimethylamino-ethyl)-2-oxo-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-(4,6-dimethyl-pyrimidin-2-yloxy)-acetic acid
Inchi Key	ARRVINKHLMOECL-SQHAQQRYSA-N
Inchi ID	InChI=1S/C27H31N5O4/c1-18-16-19(2)30-26(29-18)36-24(25(34)35)27(20-10-6-5-7-11-20)21-12-8-9-13-22(21)32(15-14-31(3)4)23(33)17-28-27/h5-13,16,24,28H,14-15,17H2,1-4H3,(H,34,35)/t24-,27+/m1/s1
PubChem CID	11752174
ChEMBL	CHEMBL450628
IUPHAR	N/A
BindingDB	50146645
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
12715	Endothelin receptor type B	P24530	EDNRB	Homo sapiens (Human)	442
12714	Endothelin-1 receptor	P25101	EDNRA	Homo sapiens (Human)	427

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