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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	Tbhpbo
Molecular formula	C14H21N3O3
IUPAC name	4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one
Molecular weight	279.34
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	0.5
Synonyms	CHEMBL420746 GTPL5387 Lopac0_000372 SpecPlus_000776 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1h-benzimidazol-2-ol AC1L1E8K Cgp 12177A CGP-12177A hydrochloride D03BZW KBio2_005006 NCGC00015184-04 2H-Benzimidazol-2-one, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-1,3-dihydro- 4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro-2h-benzimidazol-2-one BDBM50027879 CHEBI:73288 FT-0708718 KBioSS_002444 NCGC00025024-03 [3H]CGP12177 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydro-2H-benzimidazol-2-one CCG-204467 CTK5E8414 KBio1_001816 LS-177605 Spectrum4_000777 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2,3-dihydro-1H-1,3-benzodiazol-2-one AC1Q6M3F Cgp-12177 CGP12177 D06SAW KBio2_007574 NCGC00015184-05 [3H]-CGP12177 2H-Benzimidazol-2-one,4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]-1,3-dihydro- BRD-A34706053-003-01-9 GTPL532 L000166 SCHEMBL2016211 (+/-)-CGP-12177A hydrochloride 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1,3-dihydrobenzimidazol-2-one 81047-99-6 Cgp 12177 D01RRT KBio2_002438 NCGC00015184-03 Spectrum_001907 2H-Benzimidazol-2-one, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)- 4-[3-(tert-butylamino)-2-hydroxypropoxy]-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride BDBM25747 CGP-12177A CGP12177A DivK1c_006872 KBioGR_001194 NCGC00025024-02 [3H]CGP 12177 4-(3-tert-Butylamino-2-hydroxypropoxy)benzimidazol-2-one C14H19N3O3 [ Show all ]
Inchi Key	UMQUQWCJKFOUGV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)
PubChem CID	2687
ChEMBL	CHEMBL420746
IUPHAR	5387, 532
BindingDB	25747, 50027879
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
340426	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
340427	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
340428	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408
554967	Beta-3 adrenergic receptor	P26255	Adrb3	Rattus norvegicus (Rat)	400
554968	Beta-3 adrenergic receptor	P25962	Adrb3	Mus musculus (Mouse)	400
340429	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446

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