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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	MLS000536463
Molecular formula	C23H23ClN2O6
IUPAC name	[2-(cycloheptylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate
Molecular weight	458.895
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.3
Synonyms	BDBM43379 MLS002633393 2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester cid_2371253 Z18396243 [2-(cycloheptylamino)-2-oxoethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate AC1M6DU3 MolPort-005-889-293 ZINC3254519 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester HMS2396K11 AKOS033616048 MLS000536463-02 (cycloheptylcarbamoyl)methyl 2-(4-chloro-3-nitrobenzoyl)benzoate CHEMBL1376861 SMR000151440 [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate 721904-42-3 MCULE-7837764820 [ Show all ]
Inchi Key	AWEVAFGPTHYXOX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H23ClN2O6/c24-19-12-11-15(13-20(19)26(30)31)22(28)17-9-5-6-10-18(17)23(29)32-14-21(27)25-16-7-3-1-2-4-8-16/h5-6,9-13,16H,1-4,7-8,14H2,(H,25,27)
PubChem CID	2371253
ChEMBL	CHEMBL1376861
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
15934	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
15933	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
15938	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332
15935	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460
15937	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
15936	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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