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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	671200-24-1
Molecular formula	C16H19N3O2S2
IUPAC name	N-(oxolan-2-ylmethyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide
Molecular weight	349.467
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.8
Synonyms	CBKinase1_005222 MolPort-000-646-519 CHEMBL1429474 VU0051196-2 AKOS016403179 MCULE-4459871549 CBKinase1_017622 N-[(oxolan-2-yl)methyl]-2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-ylsulfanyl}acetamide AC1MFT05 F3394-0602 Z20228734 BRD-A85404733-001-01-1 MLS001034273 2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide SMR000666165 AKOS000812489 HMS2976H10 [ Show all ]
Inchi Key	GXCCSRFNIZFAJX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H19N3O2S2/c20-13(17-7-10-3-2-6-21-10)8-22-15-14-11-4-1-5-12(11)23-16(14)19-9-18-15/h9-10H,1-8H2,(H,17,20)
PubChem CID	2950264
ChEMBL	CHEMBL1429474
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
107461	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
107460	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
107459	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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