Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

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	A-85380
Molecular formula	C9H12N2O
IUPAC name	3-[[(2S)-azetidin-2-yl]methoxy]pyridine
Molecular weight	164.208
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	0.6
Synonyms	(S)-3-(AZETIDIN-2-YLMETHOXY)PYRIDINE A-159470 GTPL5460 3-(2(s)-azetidinylmethoxy)pyridine AC1NSJQT Pyridine, 3-[(2S)-2-azetidinylmethoxy]- CHEMBL59986 161416-98-4 NCGC00387223-01 3-[(2S)-azetidin-2-ylmethoxy]pyridine AKOS030230435 SCHEMBL676026 A 85380 D0Y6OE 3-((S)-1-Azetidin-2-ylmethoxy)-pyridine A85380 Pyridine, 3-(2-azetidinylmethoxy)-, (S)- 3-[[(2S)-azetidin-2-yl]methoxy]pyridine BDBM50049750 ZINC3805142 [ Show all ]
Inchi Key	XKFMBGWHHBCWCD-QMMMGPOBSA-N
Inchi ID	InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
PubChem CID	5310969
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50049750
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
394012	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
394014	5-hydroxytryptamine receptor 1B	P79250	HTR1B	Canis lupus familiaris (Dog)	389
394016	5-hydroxytryptamine receptor 2A	P50129	HTR2A	Sus scrofa (Pig)	470
394013	5-hydroxytryptamine receptor 2C	P28335	HTR2C	Homo sapiens (Human)	458
462582	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
557124	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
394010	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353
462581	Beta-2 adrenergic receptor	P18762	Adrb2	Mus musculus (Mouse)	418
557125	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
394011	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
557123	Gamma-aminobutyric acid type B receptor subunit 1	Q9UBS5	GABBR1	Homo sapiens (Human)	961
557126	Gamma-aminobutyric acid type B receptor subunit 1	Q9Z0U4	Gabbr1	Rattus norvegicus (Rat)	991
394015	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
462584	Mu-type opioid receptor	P33535	Oprm1	Rattus norvegicus (Rat)	398
394017	Muscarinic acetylcholine receptor M1	P12657	Chrm1	Mus musculus (Mouse)	460
462580	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
462585	Substance-K receptor	P05363	TACR2	Bos taurus (Bovine)	384
462583	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218