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	spiropiperidine analogue, 11
Molecular formula	C28H31N3O
IUPAC name	8-benzhydryl-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight	425.576
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	5.4
Synonyms	BDBM26890 8-(diphenylmethyl)-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one CHEMBL474091
Inchi Key	AJCMEBINTIHGEB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H31N3O/c1-2-29-22-31(25-16-10-5-11-17-25)28(27(29)32)18-20-30(21-19-28)26(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26H,2,18-22H2,1H3
PubChem CID	25190572
ChEMBL	CHEMBL474091
IUPHAR	N/A
BindingDB	26890
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
6783	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
6786	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
6784	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400
6785	Nociceptin receptor	P41146	OPRL1	Homo sapiens (Human)	370

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