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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	CHEMBL221998
Molecular formula	C24H20Cl2N4O3
IUPAC name	methyl 2-chloro-6-[4-[(1R)-1-[[4-chloro-3-[(2-cyanoacetyl)amino]pyridin-2-yl]amino]ethyl]phenyl]benzoate
Molecular weight	483.349
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.4
Synonyms	BDBM50157513 3-chloro-4''-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridin-2-ylamino]-ethyl}-biphenyl-2-carboxylic acid methyl ester
Inchi Key	ALKZGOAMUXQFJR-CQSZACIVSA-N
Inchi ID	InChI=1S/C24H20Cl2N4O3/c1-14(29-23-22(19(26)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-18(25)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
PubChem CID	11386138
ChEMBL	CHEMBL221998
IUPHAR	N/A
BindingDB	50157513
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
8355	B1 bradykinin receptor	P48748	BDKRB1	Oryctolagus cuniculus (Rabbit)	352
8356	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
8357	B1 bradykinin receptor	P97583	Bdkrb1	Rattus norvegicus (Rat)	337

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