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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	Abt-418
Molecular formula	C9H14N2O
IUPAC name	3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole
Molecular weight	166.224
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.2
Synonyms	ZINC3786099 3-Methyl-5-(1-methyl-2(S)-pyrrolidinyl)isoxazole AKOS006273438 Isoxazole, 3-methyl-5-(1-methyl-2-pyrrolidinyl)-, (S)- (s)-3-methyl-5-(1-methyl-2-pyrrolidinyl) isoxazole 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole CHEMBL274525 LS-173303 SCHEMBL194161 147402-53-7 ILLGYRJAYAAAEW-QMMMGPOBSA-N 3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole BDBM50035398 Isoxazole, 3-methyl-5-[(2S)-1-methyl-2-pyrrolidinyl]- NCGC00165725-01 (S)-3-Methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole D09ADT UNII-B9I6MZL7BW component ILLGYRJAYAAAEW-QMMMGPOBSA-N 3-Methyl-5-((S)-1-methyl-pyrrolidin-2-yl)-isoxazole AC1L3OPH Isoxazole, 3-methyl-5-((2S)-1-methyl-2-pyrrolidinyl)- (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidinium 3-Methyl-5-(1methyl-2(S)-pyrrolidinyl)isoxazole C9H14N2O KB-74388 NCGC00165725-02 (S)-3-methyl-5-(1-methylpyrrolidin-2-yl)isoxazole Abt 418 DTXSID10163711 [ Show all ]
Inchi Key	ILLGYRJAYAAAEW-QMMMGPOBSA-N
Inchi ID	InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
PubChem CID	119380
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50035398
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
136084	5-hydroxytryptamine receptor 2A	P50129	HTR2A	Sus scrofa (Pig)	470
460457	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
556005	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
460456	Beta-2 adrenergic receptor	P18762	Adrb2	Mus musculus (Mouse)	418
136087	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
556006	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
556007	Gamma-aminobutyric acid type B receptor subunit 1	Q9UBS5	GABBR1	Homo sapiens (Human)	961
136088	Histamine H1 receptor	P35367	HRH1	Homo sapiens (Human)	487
136086	Muscarinic acetylcholine receptor M1	P12657	Chrm1	Mus musculus (Mouse)	460
460458	Substance-K receptor	P05363	TACR2	Bos taurus (Bovine)	384
460459	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407
136085	Type-2 angiotensin II receptor	P50052	AGTR2	Homo sapiens (Human)	363

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