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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	CHEMBL3901913
Molecular formula	C27H29N3O7S
IUPAC name	methyl (2R)-1-[2-hydroxy-3-[[2-[[(5-methylfuran-2-yl)-(thiolan-2-yl)methyl]amino]-3,4-dioxocyclobuten-1-yl]amino]benzoyl]pyrrolidine-2-carboxylate
Molecular weight	539.603
Hydrogen bond acceptor	10
Hydrogen bond donor	3
XlogP	3.8
Synonyms	methyl (R)-1-[2-hydroxy-3-(2-{[(5-methylfuran-2-yl)-(tetrahydrothiophen-2-yl)methyl]amino}-3,4-dioxocyclobut-1-enylamino)benzoyl]pyrrolidine-2-carboxylate SCHEMBL14904736 HDQNDRCZSVEGSG-QHGAOEGBSA-N
Inchi Key	HDQNDRCZSVEGSG-QHGAOEGBSA-N
Inchi ID	InChI=1S/C27H29N3O7S/c1-14-10-11-18(37-14)20(19-9-5-13-38-19)29-22-21(24(32)25(22)33)28-16-7-3-6-15(23(16)31)26(34)30-12-4-8-17(30)27(35)36-2/h3,6-7,10-11,17,19-20,28-29,31H,4-5,8-9,12-13H2,1-2H3/t17-,19?,20?/m1/s1
PubChem CID	71526067
ChEMBL	CHEMBL3901913
IUPHAR	N/A
BindingDB	236789, 236806
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
534403	C-X-C chemokine receptor type 1	P25024	CXCR1	Homo sapiens (Human)	350
534402	C-X-C chemokine receptor type 2	P25025	CXCR2	Homo sapiens (Human)	360

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