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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	CHEMBL133186
Molecular formula	C32H31Cl2N5O4
IUPAC name	4-[(E)-3-[[2-[2,4-dichloro-3-[[2-(2,5-dimethylpyrrol-1-yl)pyridin-3-yl]oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
Molecular weight	620.531
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	5.2
Synonyms	BDBM50067286 4-((E)-2-{[({2,4-Dichloro-3-[2-(2,5-dimethyl-pyrrol-1-yl)-pyridin-3-yloxymethyl]-phenyl}-methyl-carbamoyl)-methyl]-carbamoyl}-vinyl)-N-methyl-benzamide
Inchi Key	CRVYTVKMJIWJCS-LFIBNONCSA-N
Inchi ID	InChI=1S/C32H31Cl2N5O4/c1-20-7-8-21(2)39(20)31-27(6-5-17-36-31)43-19-24-25(33)14-15-26(30(24)34)38(4)29(41)18-37-28(40)16-11-22-9-12-23(13-10-22)32(42)35-3/h5-17H,18-19H2,1-4H3,(H,35,42)(H,37,40)/b16-11+
PubChem CID	10699094
ChEMBL	CHEMBL133186
IUPHAR	N/A
BindingDB	50067286
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
49162	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
49163	B2 bradykinin receptor	O70526	BDKRB2	Cavia porcellus (Guinea pig)	372

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