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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	MK-0686
Molecular formula	C22H19ClF4N2O4
IUPAC name	methyl 2-chloro-6-[3-fluoro-4-[(1R)-1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate
Molecular weight	486.848
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.5
Synonyms	CHEMBL232943 UNII-M310323W0U 3-Chloro-3'-fluoro-4'-((1R)-1-(((1-((trifluoroacetyl)amino)cyclopropyl)carbonyl)amino)ethyl)-(1,1'-biphenyl)-2-carboxylic acid, methyl ester M310323W0U BDBM50202412 MK0686 (1,1'-Biphenyl)-2-carboxylic acid, 3-chloro-3'-fluoro-4'-((1R)-1-(((1-((trifluoroacetyl)amino)cyclopropyl)carbonyl)amino)ethyl)-, methyl ester DB12563 methyl 3-chloro-3''-fluoro-4''-{(1R)-1-[({1-[(trifluoroacetyl)amino]cyclopropyl}carbonyl)amino]ethyl}-1,1''-biphenyl-2-carboxylate SCHEMBL6183541 3-Chloro-3''-fluoro-4''-((R)-1-{[1-(2,2,2-trifluoro-acetylamino)-cyclopropanecarbonyl]-amino}-ethyl)-biphenyl-2-carboxylic acid methyl ester DTXSID20206587 578727-68-1 [ Show all ]
Inchi Key	WZZIQHIQMWJNLU-LLVKDONJSA-N
Inchi ID	InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1
PubChem CID	16102897
ChEMBL	CHEMBL232943
IUPHAR	N/A
BindingDB	50202412
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
386704	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
386705	B1 bradykinin receptor	P97583	Bdkrb1	Rattus norvegicus (Rat)	337
386706	B1 bradykinin receptor	P48748	BDKRB1	Oryctolagus cuniculus (Rabbit)	352

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