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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	AC1MEE7H
Molecular formula	C20H24ClNO5S
IUPAC name	4-chloro-6-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Molecular weight	425.924
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.7
Synonyms	SR-01000478977-1 4-chloro-6-[(3-ethoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid EU-0076681 MLS001035363 AKOS001651084 SMR000664610 372152-29-9 STL318125 4-chloro-6-{[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid HMS2994E03 MLS001035363-02 AKOS021998745 SR-01000478977 4-chloro-6-({[3-(ethoxycarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]amino}carbonyl)cyclohex-3-ene-1-carboxylic acid CHEMBL1417746 MCULE-2691515428 MolPort-002-207-319 CCG-110435 [ Show all ]
Inchi Key	AGNVPCNTOKYBED-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24ClNO5S/c1-2-27-20(26)16-13-6-4-3-5-7-15(13)28-18(16)22-17(23)14-10-11(21)8-9-12(14)19(24)25/h8,12,14H,2-7,9-10H2,1H3,(H,22,23)(H,24,25)
PubChem CID	2902002
ChEMBL	CHEMBL1417746
IUPHAR	N/A
BindingDB	N/A
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
5054	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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