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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	MLS000675224
Molecular formula	C20H26BrN3O5S3
IUPAC name	4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide
Molecular weight	564.528
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	3.2
Synonyms	4-[[(5-bromothiophen-2-yl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide BDBM96690 N-{2-[4-(aminosulfonyl)phenyl]ethyl}-4-({[(5-bromothien-2-yl)sulfonyl]amino}methyl)cyclohexanecarboxamide 4-[[(5-bromo-2-thienyl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexanecarboxamide cid_16193924 MLS003879521 SMR000313946 4-[[(5-bromo-2-thiophenyl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]-1-cyclohexanecarboxamide HMS2662L13 AKOS001806273 MolPort-007-611-709 4-[[(5-bromanylthiophen-2-yl)sulfonylamino]methyl]-N-[2-(4-sulfamoylphenyl)ethyl]cyclohexane-1-carboxamide CHEMBL1429050 ZINC17357068 [ Show all ]
Inchi Key	CBOQERIHQXTZHA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H26BrN3O5S3/c21-18-9-10-19(30-18)32(28,29)24-13-15-1-5-16(6-2-15)20(25)23-12-11-14-3-7-17(8-4-14)31(22,26)27/h3-4,7-10,15-16,24H,1-2,5-6,11-13H2,(H,23,25)(H2,22,26,27)
PubChem CID	16193924
ChEMBL	CHEMBL1429050
IUPHAR	N/A
BindingDB	96690
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
38074	Trace amine-associated receptor 1	Q96RJ0	TAAR1	Homo sapiens (Human)	339

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