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	CHEMBL1255085
Molecular formula	C23H25NO5
IUPAC name	2-[2-[2-(2-phenylmethoxyphenoxy)ethylamino]ethoxy]benzene-1,3-diol
Molecular weight	395.455
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	3.9
Synonyms	BDBM50416865
Inchi Key	ADSQCTGZHJXUFN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25NO5/c25-19-9-6-10-20(26)23(19)28-16-14-24-13-15-27-21-11-4-5-12-22(21)29-17-18-7-2-1-3-8-18/h1-12,24-26H,13-17H2
PubChem CID	52944674
ChEMBL	CHEMBL1255085
IUPHAR	N/A
BindingDB	50416865
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
3042	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
3040	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
3043	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
3038	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
3041	Alpha-1B adrenergic receptor	P15823	Adra1b	Rattus norvegicus (Rat)	515
3037	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561
3039	Alpha-1D adrenergic receptor	P25100	ADRA1D	Homo sapiens (Human)	572

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