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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	CHEMBL131439
Molecular formula	C31H28N2O5S2
IUPAC name	2-[5-[4-[(2-phenylbenzoyl)amino]benzoyl]-3,4-dihydro-2H-1,5-benzothiazepin-2-yl]ethanesulfonic acid
Molecular weight	572.694
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.4
Synonyms	2-(5-{4-[(Biphenyl-2-carbonyl)-amino]-benzoyl}-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-2-yl)-ethanesulfonic acid BDBM50135419
Inchi Key	BXVMVOZCTIQAAB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H28N2O5S2/c34-30(27-11-5-4-10-26(27)22-8-2-1-3-9-22)32-24-16-14-23(15-17-24)31(35)33-20-18-25(19-21-40(36,37)38)39-29-13-7-6-12-28(29)33/h1-17,25H,18-21H2,(H,32,34)(H,36,37,38)
PubChem CID	44352777
ChEMBL	CHEMBL131439
IUPHAR	N/A
BindingDB	50135419
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
35508	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418
35507	Vasopressin V2 receptor	P30518	AVPR2	Homo sapiens (Human)	371

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