Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameSCHEMBL2027169
Molecular formulaC25H26N6O
IUPAC name2-(1H-indol-3-ylmethyl)-9-pyrido[3,4-b]pyrazin-7-yl-2,9-diazaspiro[5.5]undecan-1-one
Molecular weight426.524
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.5
SynonymsCHEMBL3669571
BDBM102296
US8530648, 233
Inchi KeyAIDAWRFKCJZKLP-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H26N6O/c32-24-25(6-3-11-31(24)17-18-15-28-20-5-2-1-4-19(18)20)7-12-30(13-8-25)23-14-21-22(16-29-23)27-10-9-26-21/h1-2,4-5,9-10,14-16,28H,3,6-8,11-13,17H2
PubChem CID67252802
ChEMBLCHEMBL3669571
IUPHARN/A
BindingDB102296
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6112Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
6113Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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