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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	CHEMBL387136
Molecular formula	C24H28BrClN6O5S
IUPAC name	(2R)-1-[3-[[3-[[N'-(2-bromophenyl)-N-cyanocarbamimidoyl]amino]-6-chloro-2-hydroxyphenyl]sulfonylamino]pentan-3-yl]pyrrolidine-2-carboxylic acid
Molecular weight	627.939
Hydrogen bond acceptor	9
Hydrogen bond donor	5
XlogP	3.5
Synonyms	(R)-1-(3-(3-(3-(2-bromophenyl)-2-cyanoguanidino)-6-chloro-2-hydroxyphenylsulfonamido)pentan-3-yl)pyrrolidine-2-carboxylic acid BDBM50193973
Inchi Key	CODGMHXCDXLYFF-LJQANCHMSA-N
Inchi ID	InChI=1S/C24H28BrClN6O5S/c1-3-24(4-2,32-13-7-10-19(32)22(34)35)31-38(36,37)21-16(26)11-12-18(20(21)33)30-23(28-14-27)29-17-9-6-5-8-15(17)25/h5-6,8-9,11-12,19,31,33H,3-4,7,10,13H2,1-2H3,(H,34,35)(H2,28,29,30)/t19-/m1/s1
PubChem CID	44419555
ChEMBL	CHEMBL387136
IUPHAR	N/A
BindingDB	50193973
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
46568	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
46567	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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