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	clenbuterol
Molecular formula	C12H18Cl2N2O
IUPAC name	1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol
Molecular weight	277.189
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.2
Synonyms	NCGC00163150-03 4-Amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol Planipart [veterinary] (TN) AC-10284 Spectrum3_000975 Benzenemethanol, 4-amino-3,5-dichloro-.alpha.-[[(1,1-dimethylethyl)amino]methyl]- Tox21_112016_1 BSPBio_000409 clenbuterol (product) D07713 DSSTox_RID_76749 HMS2089I15 (-)-4-Amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol KBioGR_001518 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol # NCGC00163150-07 50306-03-1 Prestwick2_000345 ACM50499600 Spectrum5_001497 Benzenemethanol,4-amino-3,5-dichloro-a-[[(1,1-dimethylethyl)amino]methyl]-,(as)- CHEBI:174690 Clenbuterolum DB01407 EINECS 256-529-4 KBio2_002044 Monores NCGC00163150-01 4-Amino-3,5-dichloro-.alpha.-(((1,1-dimethylethyl)amino)methyl)benzenemethanol Planipart AB00053680-12 SCHEMBL4722 BC200547 STJMRWALKKWQGH-UHFFFAOYSA-N BRD-A75726477-003-04-9 Contraspasmin (TN) DSSTox_CID_2833 FT-0665082 (+-)-clenbuterol KBio3_001829 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethan-1-ol 1-(4-amino-3,5-dichlorophenyl)-2-[(1,1-dimethylethyl)amino]ethanol NCGC00163150-04 4-Amino-alpha-[(tert-butylamino)methyl]-3,5-dichlorobenzyl alcohol Prestwick0_000345 AC1L1EGH Spectrum4_000743 Benzenemethanol, 4-amino-3,5-dichloro-?-[[(1,1-dimethylethyl)amino]methyl]- BSPBio_002609 Clenbuterol [BAN:INN] D0X5NX DTXSID7022833 IDI1_000794 (-)-4-amino-alpha-[(tert-butylamino)methyl]-3,5-dichlorobenzyl alcohol KBioSS_002044 37148-27-9 NINDS_000794 50499-60-0 Prestwick3_000345 AKOS007930151 Spectrum_001564 Benzyl alcohol, 4-amino-alpha-((tert-butylamino)methyl)-3,5-dichloro- Clenbuterolum [INN-Latin] DivK1c_000794 FT-0665080 (+)-4-Amino-3,5-dichloro-alpha-[[(1,1-dimethylethyl)amino]methyl]benzenemethanol KBio2_004612 1-(4-amino-3,5-dichloro-phenyl)-2-(tert-butylamino)ethanol NAB 365 NCGC00163150-02 4-Amino-3,5-dichloro-alpha-(((1,1-dimethylethyl)amino)methyl)benzenemethanol Planipart [veterinary] AB00053680_13 SPBio_002330 BDBM27958 Tox21_112016 BRN 1076467 Clenbuterol (INN) CTK1H4006 DSSTox_GSID_22833 FT-0701019 (+/-)-clenbuterol KBioGR_001066 1-(4-Amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol 148C279 NCGC00163150-05 50306-01-9 Prestwick1_000345 ACM50306031 Spectrum4_001099 BENZENEMETHANOL, 4-AMINO-3,5-DICHLORO-alpha-(((1,1-DIMETHYLETHYL)AMINO)METHYL)- CAS-37148-27-9 Clenbuterol [INN:BAN] EINECS 253-366-0 KBio1_000794 (RS)-Clenbutero LS-30602 NAB-365 4-Amino-.alpha.-[(tert-butylamino)methyl]-3,5-dichlorobenzyl alcohol P 5369 AB00053680 SBI-0051858.P002 API0002046 SR-01000721909-2 BPBio1_000451 CHEMBL49080 Contraspasmin dl-Clenbuterol FT-0665081 (+)-4-Amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol KBio2_007180 1-(4-Amino-3,5-dichloro-phenyl)-2-tert-butylamino-ethanol [ Show all ]
Inchi Key	STJMRWALKKWQGH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
PubChem CID	2783
ChEMBL	CHEMBL49080
IUPHAR	N/A
BindingDB	27958
DrugBank	DB01407
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
322790	5-hydroxytryptamine receptor 1A	P19327	Htr1a	Rattus norvegicus (Rat)	422
322793	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
322789	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
322791	Beta-2 adrenergic receptor	Q28044	ADRB2	Bos taurus (Bovine)	418
322792	Beta-2 adrenergic receptor	Q8K4Z4	Adrb2	Cavia porcellus (Guinea pig)	418
322794	Beta-3 adrenergic receptor	P13945	ADRB3	Homo sapiens (Human)	408
322795	Beta-3 adrenergic receptor	P26255	Adrb3	Rattus norvegicus (Rat)	400

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