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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	CHEMBL345657
Molecular formula	C23H27N7
IUPAC name	N-(pyridin-3-ylmethyl)-1-[(3S)-1-[2-[5-(1,2,4-triazol-4-yl)-1H-indol-3-yl]ethyl]pyrrolidin-3-yl]methanamine
Molecular weight	401.518
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	1.9
Synonyms	BDBM50074176 Pyridin-3-ylmethyl-{(S)-1-[2-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-ethyl]-pyrrolidin-3-ylmethyl}-amine
Inchi Key	AZZSQWLCJMOLKZ-IBGZPJMESA-N
Inchi ID	InChI=1S/C23H27N7/c1-2-18(11-24-7-1)12-25-13-19-5-8-29(15-19)9-6-20-14-26-23-4-3-21(10-22(20)23)30-16-27-28-17-30/h1-4,7,10-11,14,16-17,19,25-26H,5-6,8-9,12-13,15H2/t19-/m0/s1
PubChem CID	10525100
ChEMBL	CHEMBL345657
IUPHAR	N/A
BindingDB	50074176
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
18649	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
18650	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377

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