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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	CHEMBL2031832
Molecular formula	C40H42FN7O3
IUPAC name	N-[(2S)-5-(diaminomethylideneamino)-1-[[(1S)-1-naphthalen-1-ylethyl]amino]-1-oxopentan-2-yl]-4-[[(4-fluorobenzoyl)-(2-pyridin-2-ylethyl)amino]methyl]benzamide
Molecular weight	687.82
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	4.9
Synonyms	4-[[(4-fluorobenzoyl)-[2-(2-pyridyl)ethyl]amino]methyl]-N-[(1S)-4-guanidino-1-[[(1S)-1-(1-naphthyl)ethyl]carbamoyl]butyl]benzamide
Inchi Key	BFVFPTVOMISHBH-WMELESEDSA-N
Inchi ID	InChI=1S/C40H42FN7O3/c1-27(34-12-6-9-29-8-2-3-11-35(29)34)46-38(50)36(13-7-24-45-40(42)43)47-37(49)30-16-14-28(15-17-30)26-48(25-22-33-10-4-5-23-44-33)39(51)31-18-20-32(41)21-19-31/h2-6,8-12,14-21,23,27,36H,7,13,22,24-26H2,1H3,(H,46,50)(H,47,49)(H4,42,43,45)/t27-,36-/m0/s1
PubChem CID	70681641
ChEMBL	CHEMBL2031832
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
442543	C-X-C chemokine receptor type 4	P61073	CXCR4	Homo sapiens (Human)	352

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