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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	CHEMBL304060
Molecular formula	C27H23N3O2S
IUPAC name	N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-methylsulfanylbenzamide
Molecular weight	453.56
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.2
Synonyms	N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-phenyl]-2-methylsulfanyl-benzamide N-[4-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)ylcarbonyl)phenyl]-2-(methylthio)benzamide N-[4-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbony1)phenyl]-2 -(methylthio)benzamide BDBM50129469 SCHEMBL7333136 GHIXXYCLZLTCLC-UHFFFAOYSA-N N-[4-(5H-Pyrrolo[2,1-c][1,4]benzodiazepin-10(11H)-ylcarbonyl)phenyl]-2-(methylthio)benzamide [ Show all ]
Inchi Key	GHIXXYCLZLTCLC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H23N3O2S/c1-33-25-11-5-3-9-23(25)26(31)28-21-14-12-19(13-15-21)27(32)30-18-22-8-6-16-29(22)17-20-7-2-4-10-24(20)30/h2-16H,17-18H2,1H3,(H,28,31)
PubChem CID	21837162
ChEMBL	CHEMBL304060
IUPHAR	N/A
BindingDB	50129469
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
96530	Vasopressin V1a receptor	P30560	Avpr1a	Rattus norvegicus (Rat)	424
96531	Vasopressin V2 receptor	Q00788	Avpr2	Rattus norvegicus (Rat)	371

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