Zhang Lab

National University of Singapore

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 ●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	Levobetaxolol
Molecular formula	C18H29NO3
IUPAC name	(2S)-1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular weight	307.434
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.8
Synonyms	AL-1577A D0A6CQ Levobetaxolol [INN] UNII-O0ZR1R6RZ2 component NWIUTZDMDHAVTP-KRWDZBQOSA-N (-)-Betaxolol Betaxon (TN) DTXSID30239341 MolPort-008-313-770 (2S)-1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(propan-2-ylamino)propan-2-ol 93221-48-8 AC1Q58SH K696 STK636241 (S)-Betaxolol BDBM25752 levobetaxololum ZINC1530567 (2S)-1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol 75O9XHA4TU AB01566926_01 C18H29NO3 FT-0773524 NCGC00386278-01 (S)-(-)-Betaxolol AKOS005568173 CHEMBL1201274 UNII-75O9XHA4TU 2-Propanol, 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-, (2S)- Betaxon DB09351 LS-178203 [(2S)-3-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-2-hydroxypropyl](propan-2-yl)amine (2s)-1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(isopropylamino)propan-2-ol AC1L1TO2 CHEBI:59254 GTPL8035 SCHEMBL23532 (S)-1-(isopropylamino)-3-[p-(cyclopropylmethoxyethyl)phenoxy]-2-propanol [ Show all ]
Inchi Key	NWIUTZDMDHAVTP-KRWDZBQOSA-N
Inchi ID	InChI=1S/C18H29NO3/c1-14(2)19-11-17(20)13-22-18-7-5-15(6-8-18)9-10-21-12-16-3-4-16/h5-8,14,16-17,19-20H,3-4,9-13H2,1-2H3/t17-/m0/s1
PubChem CID	60657
ChEMBL	CHEMBL1201274
IUPHAR	8035
BindingDB	25752
DrugBank	DB09351
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
233751	5-hydroxytryptamine receptor 1B	P28564	Htr1b	Rattus norvegicus (Rat)	386
233747	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
233749	Beta-1 adrenergic receptor	P18090	Adrb1	Rattus norvegicus (Rat)	466
233750	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
461239	Beta-2 adrenergic receptor	P10608	Adrb2	Rattus norvegicus (Rat)	418
233748	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417