Zhang Lab

National University of Singapore

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

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●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 ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●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	ritodrine
Molecular formula	C17H21NO3
IUPAC name	4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
Molecular weight	287.359
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	2.3
Synonyms	Utopar 2-(4-Hydroxyphenethylamino)-1-(4-hydroxyphenyl)propanol 4-[2-[[(1S,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol BPBio1_000459 cid_31728 erythro-p-Hydroxy-alpha-(1-((p-hydroxyphenethyl)amino)ethyl)benzyl alcohol Prepar Ritodrine (USAN/INN) Ritodrinium [INN-Latin] Yutopar S.R 4-Hydroxy-alpha-(1-((2-(4-hydroxyphenyl)ethyl)amino)ethyl)benzenemethanol (R,S)- AC1L1PV2 BSPBio_000417 LS-30764 Prestwick2_000349 SPBio_002338 4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol Benzenemethanol, 4-hydroxy-alpha-(1-((2-(4-hydroxyphenyl)ethyl)amino)ethyl)-, (R,S)- DU-21220 NCGC00179566-03 Ritodrina [INN-Spanish] Yutopar 26652-09-5 4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol BRD-K51465424-003-03-6 D00LFB GTPL7294 Prestwick0_000349 Ritodrine [USAN:BAN:INN] SCHEMBL34194 ZINC57480 4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol AC1Q59PF C07239 DB00867 MLS002153782 Prestwick3_000349 UNII-I0Q6O6740J component IOVGROKTTNBUGK-SJCJKPOMSA-N (?)-Ritodrine 4-[2-[[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol Benzyl alcohol, p-hydroxy-alpha-(1-((p-hydroxyphenethyl)amino)ethyl)-, erythro- CHEMBL785 EINECS 247-879-9 p-Hydroxy-alpha-(1-((p-hydroxyphenethyl)amino)ethyl)benzyl alcohol Yutopar (TN) 4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol BRN 2388728 D02359 IOVGROKTTNBUGK-SJCJKPOMSA-N Prestwick1_000349 Ritodrinium SMR001233166 4-[2-[[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol BDBM97162 CHEBI:8872 DTXSID7048534 NCGC00179566-01 Ritodrina [ Show all ]
Inchi Key	IOVGROKTTNBUGK-SJCJKPOMSA-N
Inchi ID	InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1
PubChem CID	33572
ChEMBL	CHEMBL785
IUPHAR	N/A
BindingDB	97162
DrugBank	DB00867
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
138244	Beta-1 adrenergic receptor	P18090	Adrb1	Rattus norvegicus (Rat)	466
138243	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
138245	Beta-2 adrenergic receptor	P10608	Adrb2	Rattus norvegicus (Rat)	418
138247	Beta-3 adrenergic receptor	P26255	Adrb3	Rattus norvegicus (Rat)	400
138246	Galanin receptor type 3	O60755	GALR3	Homo sapiens (Human)	368

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