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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	MLS000530432
Molecular formula	C19H21ClN2O4S2
IUPAC name	2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
Molecular weight	440.957
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.1
Synonyms	2-[(4-chlorophenyl)thio]-N-(4-morpholinosulfonylphenyl)propionamide SCHEMBL13712126 AC1MF41Z HMS2378K08 SR-01000218421-1 2-(4-chlorophenyl)sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)propanamide BIM-0029857.P001 MolPort-002-316-920 2-[(4-chlorophenyl)thio]-N-[4-(4-morpholinylsulfonyl)phenyl]propanamide CHEMBL1409517 SMR000135410 AKOS000895710 MCULE-5849322078 STL124015 2-[(4-chlorophenyl)sulfanyl]-N-[4-(morpholin-4-ylsulfonyl)phenyl]propanamide CBMicro_029860 Oprea1_456714 cid_2865612 SR-01000218421 BDBM75539 [ Show all ]
Inchi Key	ADRASFMZVRWGLU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21ClN2O4S2/c1-14(27-17-6-2-15(20)3-7-17)19(23)21-16-4-8-18(9-5-16)28(24,25)22-10-12-26-13-11-22/h2-9,14H,10-13H2,1H3,(H,21,23)
PubChem CID	2865612
ChEMBL	CHEMBL1409517
IUPHAR	N/A
BindingDB	75539
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
2997	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
2996	Vasopressin V1a receptor	P37288	AVPR1A	Homo sapiens (Human)	418

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