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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	SMR000160170
Molecular formula	C13H22BrN5OS
IUPAC name	1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-butylthiourea
Molecular weight	376.317
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.1
Synonyms	1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-butyl-thiourea BDBM67193 1-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-3-butylthiourea cid_3711958 AC1MVQGJ MLS000538706 1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-butyl-thiourea STL394370 2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide HMS2460B15 AKOS003763447 MolPort-001-642-555 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-butylthiourea CHEMBL1370701 ZINC8681016 MCULE-7342679811 [ Show all ]
Inchi Key	AJROVUWRGYOUKB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H22BrN5OS/c1-4-5-7-15-13(21)17-16-11(20)6-8-19-10(3)12(14)9(2)18-19/h4-8H2,1-3H3,(H,16,20)(H2,15,17,21)
PubChem CID	3711958
ChEMBL	CHEMBL1370701
IUPHAR	N/A
BindingDB	67193
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
7169	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
7168	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
7170	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
7167	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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