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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	106674-03-7
Molecular formula	C27H20N2O8S
IUPAC name	8-O-benzyl 2-O-methyl 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate
Molecular weight	532.523
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	3.9
Synonyms	3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylic acid O2-methyl ester O8-(phenylmethyl) ester BDBM81250 CTK4A4704 O8-benzyl O2-methyl 4,5-dioxo-3-(p-tolylsulfonyl)-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate Benzyl 7-(methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo-6-((4-methylphenyl)sulfonyl)benzo(1,2-b:4,3-b')dipyrrole-1-carboxylate NCI60_028455 AC1Q6U2R CHEMBL1700880 NSC679525 4,5-diketo-3-tosyl-6H-pyrrol[3,2-e]indole-2,8-dicarboxylic acid O8-benzyl ester O2-methyl ester Benzo[1,2-b:4,3-b']dipyrrole-1,7-dicarboxylicacid, 3,4,5,6-tetrahydro-6-[(4-methylphenyl)sulfonyl]-4,5-dioxo-, 7-methyl1-(phenylmethyl) ester DTXSID60147723 SMR001565879 A801509 Benzyl 7-(Methoxycarbonyl)-3,5,6-tetrahydro-4,5-dioxo- 6-((4-methylphenyl)sulfonyl)benzo[1,2-b:4,3-b']dipyrrole-1-carboxylate NSC 679525 ACMC-20byhi cid_386817 O2-methyl O8-(phenylmethyl) 3-(4-methylphenyl)sulfonyl-4,5-bis(oxidanylidene)-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate 8-O-benzyl 2-O-methyl 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate Benzyl 7-(methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo- 6-((4-methylphenyl)sulfonyl)benzo[1,2-b:4,3-b']dipyrrole-1-carboxylate MLS002702317 ZINC1647564 AC1L8SHN NSC-679525 [ Show all ]
Inchi Key	AVADCSIAVBNFKV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H20N2O8S/c1-15-8-10-17(11-9-15)38(34,35)29-20(27(33)36-2)12-18-21-19(13-28-22(21)24(30)25(31)23(18)29)26(32)37-14-16-6-4-3-5-7-16/h3-13,28H,14H2,1-2H3
PubChem CID	386817
ChEMBL	CHEMBL1700880
IUPHAR	N/A
BindingDB	81250
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
15126	5-hydroxytryptamine receptor 5A	P47898	HTR5A	Homo sapiens (Human)	357
15129	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
15127	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
15128	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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