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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	CHEMBL450852
Molecular formula	C44H44F2N6O2
IUPAC name	4-fluoro-N-[3-[1-[(E)-4-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]but-2-enyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
Molecular weight	726.873
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	7.2
Synonyms	BDBM50271061 4-fluoro-N-(3-{1-[(2E)-4-(4-{5-[(4-fluorobenzene)amido]-1H-indol-3-yl}piperidin-1-yl)but-2-en-1-yl]piperidin-4-yl}-1H-indol-5-yl)benzamide
Inchi Key	BGZWMDBRYUGTKF-OWOJBTEDSA-N
Inchi ID	InChI=1S/C44H44F2N6O2/c45-33-7-3-31(4-8-33)43(53)49-35-11-13-41-37(25-35)39(27-47-41)29-15-21-51(22-16-29)19-1-2-20-52-23-17-30(18-24-52)40-28-48-42-14-12-36(26-38(40)42)50-44(54)32-5-9-34(46)10-6-32/h1-14,25-30,47-48H,15-24H2,(H,49,53)(H,50,54)/b2-1+
PubChem CID	24881550
ChEMBL	CHEMBL450852
IUPHAR	N/A
BindingDB	50271061
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
23566	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
23565	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377

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