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	CHEMBL395838
Molecular formula	C24H24FNO
IUPAC name	1-benzhydryl-4-(3-fluorophenyl)piperidin-4-ol
Molecular weight	361.46
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.7
Synonyms	1-benzhydryl-4-(3-fluorophenyl)piperidin-4-ol BDBM50210250 D09LRO
Inchi Key	AXBTYZPRVDTMRF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H24FNO/c25-22-13-7-12-21(18-22)24(27)14-16-26(17-15-24)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23,27H,14-17H2
PubChem CID	44430008
ChEMBL	CHEMBL395838
IUPHAR	N/A
BindingDB	50210250
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
16544	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
16543	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
16542	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
16541	Nociceptin receptor	P41146	OPRL1	Homo sapiens (Human)	370

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