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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	CHEMBL76455
Molecular formula	C32H33N3O4
IUPAC name	1-benzofuran-2-ylmethyl N-[(2R)-2-(1H-indol-3-ylmethyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]carbamate
Molecular weight	523.633
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	6.3
Synonyms	[1-(1H-Indol-3-ylmethyl)-1-(1-phenyl-ethylcarbamoyl)-butyl]-carbamic acid benzofuran-2-ylmethyl ester BDBM50101414 PD-207746
Inchi Key	ACTGOTBFGXZMMT-GHRAFVERSA-N
Inchi ID	InChI=1S/C32H33N3O4/c1-3-17-32(19-25-20-33-28-15-9-8-14-27(25)28,30(36)34-22(2)23-11-5-4-6-12-23)35-31(37)38-21-26-18-24-13-7-10-16-29(24)39-26/h4-16,18,20,22,33H,3,17,19,21H2,1-2H3,(H,34,36)(H,35,37)/t22-,32+/m0/s1
PubChem CID	11016806
ChEMBL	CHEMBL76455
IUPHAR	N/A
BindingDB	50101414
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
1889	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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