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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	CHEMBL1083877
Molecular formula	C34H44N8O2S
IUPAC name	6-methyl-N-[1-[[(2S)-5-[4-[(2-methyltetrazol-5-yl)methyl]piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight	628.84
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	5.6
Synonyms	BDBM50415936
Inchi Key	JQCKRRPAKVTCCE-NDEPHWFRSA-N
Inchi ID	InChI=1S/C34H44N8O2S/c1-25-12-13-27-23-30(45-29(27)21-25)32(43)36-34(14-6-7-15-34)33(44)35-28(22-26-9-4-3-5-10-26)11-8-16-41-17-19-42(20-18-41)24-31-37-39-40(2)38-31/h3-5,9-10,12-13,21,23,28H,6-8,11,14-20,22,24H2,1-2H3,(H,35,44)(H,36,43)/t28-/m0/s1
PubChem CID	46236394
ChEMBL	CHEMBL1083877
IUPHAR	N/A
BindingDB	50415936
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
157107	Substance-K receptor	Q64077	TACR2	Cavia porcellus (Guinea pig)	402
157108	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398

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