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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	CHEMBL329744
Molecular formula	C30H36N4O5
IUPAC name	(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-2-[(5S)-1-[(4-methoxyphenyl)methyl]-2-oxo-5-pentyl-3,4-dihydro-1,4-benzodiazepin-5-yl]acetic acid
Molecular weight	532.641
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	2.5
Synonyms	SCHEMBL5359192 (S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-1-(4-methoxy-benzyl)-2-oxo-5-pentyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-5-yl]-acetic acid BDBM50146665
Inchi Key	AAKCZJIYTMOXJF-OFSOJUDTSA-N
Inchi ID	InChI=1S/C30H36N4O5/c1-5-6-9-16-30(27(28(36)37)39-29-32-20(2)17-21(3)33-29)24-10-7-8-11-25(24)34(26(35)18-31-30)19-22-12-14-23(38-4)15-13-22/h7-8,10-15,17,27,31H,5-6,9,16,18-19H2,1-4H3,(H,36,37)/t27-,30+/m1/s1
PubChem CID	11307120
ChEMBL	CHEMBL329744
IUPHAR	N/A
BindingDB	50146665
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
267	Endothelin receptor type B	P24530	EDNRB	Homo sapiens (Human)	442
266	Endothelin-1 receptor	P25101	EDNRA	Homo sapiens (Human)	427

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