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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	CHEMBL308052
Molecular formula	C40H42Cl2F2N8O3
IUPAC name	(2S)-4-amino-2-[[(2S)-2-[[1-[(2,6-dichlorophenyl)methyl]-3-(pyrrolidin-1-ylmethyl)indol-6-yl]carbamoylamino]-3-(3,4-difluorophenyl)propanoyl]amino]-N-(pyridin-2-ylmethyl)butanamide
Molecular weight	791.726
Hydrogen bond acceptor	8
Hydrogen bond donor	5
XlogP	5.0
Synonyms	BDBM50129485 4-Amino-2-[(S)-2-{3-[1-(2,6-dichloro-benzyl)-3-pyrrolidin-1-ylmethyl-1H-indol-6-yl]-ureido}-3-(3,4-difluoro-phenyl)-propionylamino]-N-pyridin-2-ylmethyl-butyramide
Inchi Key	BEWLPDVTVIFJAJ-ZPGRZCPFSA-N
Inchi ID	InChI=1S/C40H42Cl2F2N8O3/c41-31-7-5-8-32(42)30(31)24-52-23-26(22-51-16-3-4-17-51)29-11-10-27(20-37(29)52)48-40(55)50-36(19-25-9-12-33(43)34(44)18-25)39(54)49-35(13-14-45)38(53)47-21-28-6-1-2-15-46-28/h1-2,5-12,15,18,20,23,35-36H,3-4,13-14,16-17,19,21-22,24,45H2,(H,47,53)(H,49,54)(H2,48,50,55)/t35-,36-/m0/s1
PubChem CID	44309751
ChEMBL	CHEMBL308052
IUPHAR	N/A
BindingDB	50129485
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
21991	Proteinase-activated receptor 1	P25116	F2R	Homo sapiens (Human)	425

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