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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	CHEMBL94438
Molecular formula	C30H26F2N4O4
IUPAC name	(2S)-2-[(5S)-1-[(2,5-difluorophenyl)methyl]-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-(4,6-dimethylpyrimidin-2-yl)oxyacetic acid
Molecular weight	544.559
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	2.1
Synonyms	(S)-[(S)-1-(2,5-Difluoro-benzyl)-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 BDBM50146703
Inchi Key	ADOZPFPWNPYHGT-OFSOJUDTSA-N
Inchi ID	InChI=1S/C30H26F2N4O4/c1-18-14-19(2)35-29(34-18)40-27(28(38)39)30(21-8-4-3-5-9-21)23-10-6-7-11-25(23)36(26(37)16-33-30)17-20-15-22(31)12-13-24(20)32/h3-15,27,33H,16-17H2,1-2H3,(H,38,39)/t27-,30+/m1/s1
PubChem CID	11191999
ChEMBL	CHEMBL94438
IUPHAR	N/A
BindingDB	50146703
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
2932	Endothelin receptor type B	P24530	EDNRB	Homo sapiens (Human)	442
2933	Endothelin-1 receptor	P25101	EDNRA	Homo sapiens (Human)	427

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