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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	MLS000573225
Molecular formula	C16H15ClN4O3S2
IUPAC name	N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide
Molecular weight	410.891
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.7
Synonyms	HMS2514G05 N-{[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]carbonothioyl}-2-thiophenecarboxamide REGID_for_CID_2894113 BDBM51709 MolPort-002-193-879 ZINC4607750 CHEMBL1500450 N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide AC1MFGLQ MCULE-6569298935 N-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]carbonothioyl}thiophene-2-carboxamide SMR000194726 C16H15ClN4O3S2 N-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioylthiophene-2-carboxamide 371140-69-1 cid_2894113 N-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-thiophenecarboxamide AKOS000472154 Oprea1_303165 STK033867 N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide [ Show all ]
Inchi Key	ALVGDMCSDZDMMY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H15ClN4O3S2/c17-11-3-4-12(13(10-11)21(23)24)19-5-7-20(8-6-19)16(25)18-15(22)14-2-1-9-26-14/h1-4,9-10H,5-8H2,(H,18,22,25)
PubChem CID	2894113
ChEMBL	CHEMBL1500450
IUPHAR	N/A
BindingDB	51709
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
8596	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
8592	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
8594	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
8595	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
8593	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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