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	CHEMBL93614
Molecular formula	C22H29NO2
IUPAC name	3-[(3R,4R)-1-(2-hydroxy-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
Molecular weight	339.479
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.5
Synonyms	3-[1-(2-Hydroxy-3-phenyl-propyl)-3,4-dimethyl-piperidin-4-yl]-phenol 3-[(3R,4R)-1-(2-Hydroxy-3-phenylpropyl)-3,4-dimethyl-4-piperidinyl]phenol BDBM50045766
Inchi Key	APTJADCVFISWLZ-QNGGVGCWSA-N
Inchi ID	InChI=1S/C22H29NO2/c1-17-15-23(16-21(25)13-18-7-4-3-5-8-18)12-11-22(17,2)19-9-6-10-20(24)14-19/h3-10,14,17,21,24-25H,11-13,15-16H2,1-2H3/t17-,21?,22+/m0/s1
PubChem CID	9997334
ChEMBL	CHEMBL93614
IUPHAR	N/A
BindingDB	50045766
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
11347	Kappa-type opioid receptor	P33534	Oprk1	Mus musculus (Mouse)	380
11348	Kappa-type opioid receptor	P34975	Oprk1	Rattus norvegicus (Rat)	380
11350	Kappa-type opioid receptor	P41144	OPRK1	Cavia porcellus (Guinea pig)	380
11346	Mu-type opioid receptor	P42866	Oprm1	Mus musculus (Mouse)	398
11349	Mu-type opioid receptor	P33535	Oprm1	Rattus norvegicus (Rat)	398

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