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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	CHEMBL504032
Molecular formula	C35H38FN7O3
IUPAC name	N-[1-[(7S)-11-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-oxo-7-propan-2-yl-5,7-dihydrobenzimidazolo[1,2-d][1,4]benzodiazepin-2-yl]pyrrolidin-3-yl]acetamide
Molecular weight	623.733
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.3
Synonyms	SCHEMBL12582084
Inchi Key	UMYJGHFCRBPRBH-WYYRYWFOSA-N
Inchi ID	InChI=1S/C35H38FN7O3/c1-21(2)32-34(45)39-29-10-9-27(42-13-12-25(20-42)37-22(3)44)19-28(29)33-38-30-18-23(4-11-31(30)43(32)33)35(46)41-16-14-40(15-17-41)26-7-5-24(36)6-8-26/h4-11,18-19,21,25,32H,12-17,20H2,1-3H3,(H,37,44)(H,39,45)/t25?,32-/m0/s1
PubChem CID	136036258
ChEMBL	CHEMBL504032
IUPHAR	N/A
BindingDB	N/A
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
567948	Mas-related G-protein coupled receptor member X1	Q96LB2	MRGPRX1	Homo sapiens (Human)	322

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