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	MLS000777768
Molecular formula	C17H19NO2
IUPAC name	4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol
Molecular weight	269.344
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.9
Synonyms	4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-2-methoxyphenol cid_764835 AKOS021293982 MolPort-002-141-567 4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxy-phenol STL329019 MCULE-3433204949 BDBM66643 Oprea1_346780 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methoxyphenol CHEMBL1582580 ZINC239818 AC1LG42F BRD-K85035734-001-10-1 SMR000414107 [ Show all ]
Inchi Key	BENCJXKELSLPQJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19NO2/c1-20-17-10-13(6-7-16(17)19)11-18-9-8-14-4-2-3-5-15(14)12-18/h2-7,10,19H,8-9,11-12H2,1H3
PubChem CID	764835
ChEMBL	CHEMBL1582580
IUPHAR	N/A
BindingDB	66643
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
21734	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
21733	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
465570	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
21732	Trace amine-associated receptor 1	Q96RJ0	TAAR1	Homo sapiens (Human)	339

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