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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	CHEMBL304109
Molecular formula	C33H39N7O5
IUPAC name	tert-butyl N-[2-[[4-[[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]methyl]benzoyl]amino]ethyl]carbamate
Molecular weight	613.719
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	1.6
Synonyms	BDBM50012368 [2-(4-{4-[2-Oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-ylmethyl}-benzoylamino)-ethyl]-carbamic acid tert-butyl ester 5,11-Dihydro-11-[[4-[4-[2-(tert-butoxycarbonylamino)ethylaminocarbonyl]benzyl]-1-piperazinyl]acetyl]-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Inchi Key	ATASHSHAGAFYFH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H39N7O5/c1-33(2,3)45-32(44)36-16-15-35-30(42)24-12-10-23(11-13-24)21-38-17-19-39(20-18-38)22-28(41)40-27-9-5-4-7-25(27)31(43)37-26-8-6-14-34-29(26)40/h4-14H,15-22H2,1-3H3,(H,35,42)(H,36,44)(H,37,43)
PubChem CID	15050947
ChEMBL	CHEMBL304109
IUPHAR	N/A
BindingDB	50012368
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
13777	Muscarinic acetylcholine receptor M2	P10980	Chrm2	Rattus norvegicus (Rat)	466

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