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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	MLS000584447
Molecular formula	C15H16N6O5S
IUPAC name	2-[[7-(1-methylimidazol-2-yl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate
Molecular weight	392.39
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	2.4
Synonyms	cid_12005273 SR-01000144845 propionic acid 2-[[7-[(1-methylimidazol-2-yl)thio]-4-nitro-benzofurazan-5-yl]amino]ethyl ester 2-({7-[(1-methyl-1H-imidazol-2-yl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)ethyl propionate HMS2573D05 SR-01000144845-1 AKOS002128297 MolPort-007-933-927 CHEMBL1570958 SMR000207033 2-[[7-(1-methylimidazol-2-yl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl propanoate MCULE-2221368847 ZINC8683037 BDBM33119 propanoic acid 2-[[7-[(1-methyl-2-imidazolyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]ethyl ester [ Show all ]
Inchi Key	INGBPGPHKBRDPO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H16N6O5S/c1-3-11(22)25-7-5-16-9-8-10(27-15-17-4-6-20(15)2)12-13(19-26-18-12)14(9)21(23)24/h4,6,8,16H,3,5,7H2,1-2H3
PubChem CID	12005273
ChEMBL	CHEMBL1570958
IUPHAR	N/A
BindingDB	33119
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
137215	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
137217	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
137219	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
137216	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
137220	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
137218	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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