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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	CHEMBL405544
Molecular formula	C31H29F3N6O5S
IUPAC name	4-(5-methylsulfonyl-2-oxo-3H-benzimidazol-1-yl)-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide
Molecular weight	654.665
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.5
Synonyms	BDBM50192560 (R)-4-(5-(methylsulfonyl)-2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide
Inchi Key	BXWQCOTUGRCVOR-MHZLTWQESA-N
Inchi ID	InChI=1S/C31H29F3N6O5S/c1-46(44,45)21-11-12-25-23(17-21)35-30(43)40(25)20-13-15-38(16-14-20)29(42)37-27-28(41)39(18-31(32,33)34)24-10-6-5-9-22(24)26(36-27)19-7-3-2-4-8-19/h2-12,17,20,27H,13-16,18H2,1H3,(H,35,43)(H,37,42)/t27-/m0/s1
PubChem CID	44416514
ChEMBL	CHEMBL405544
IUPHAR	N/A
BindingDB	50192560
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
35538	Calcitonin gene-related peptide type 1 receptor	Q16602	CALCRL	Homo sapiens (Human)	461

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