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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	CHEMBL59561
Molecular formula	C29H28N4O3
IUPAC name	benzyl N-[(2S)-3-(1H-indol-3-yl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]carbamate
Molecular weight	480.568
Hydrogen bond acceptor	3
Hydrogen bond donor	4
XlogP	4.5
Synonyms	BDBM50289827 ZINC8922776 {(S)-2-(1H-Indol-3-yl)-1-[2-(1H-indol-3-yl)-ethylcarbamoyl]-ethyl}-carbamic acid benzyl ester
Inchi Key	IPZDYSAFCCVLJR-MHZLTWQESA-N
Inchi ID	InChI=1S/C29H28N4O3/c34-28(30-15-14-21-17-31-25-12-6-4-10-23(21)25)27(16-22-18-32-26-13-7-5-11-24(22)26)33-29(35)36-19-20-8-2-1-3-9-20/h1-13,17-18,27,31-32H,14-16,19H2,(H,30,34)(H,33,35)/t27-/m0/s1
PubChem CID	40875375
ChEMBL	CHEMBL59561
IUPHAR	N/A
BindingDB	50289827
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
139081	Cholecystokinin receptor type A	P30551	Cckar	Rattus norvegicus (Rat)	444
139080	Neuromedin-B receptor	P28336	NMBR	Homo sapiens (Human)	390

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