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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	MLS000547068
Molecular formula	C22H23ClN2O4S
IUPAC name	(Z)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Molecular weight	446.946
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	None
Synonyms	CHEMBL1339676 REGID_for_CID_9549749 HMS2350H08 SMR000113867
Inchi Key	CRIUKHLDPKZTLO-BTJKTKAUSA-N
Inchi ID	InChI=1S/C18H19ClN2S.C4H4O4/c19-14-5-6-18-15(12-14)16(21-9-7-20-8-10-21)11-13-3-1-2-4-17(13)22-18;5-3(6)1-2-4(7)8/h1-6,12,16,20H,7-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
PubChem CID	9549749
ChEMBL	CHEMBL1339676
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

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
48814	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
48815	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
48813	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
48816	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418

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