Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER C-I-TASSER QUARK C-QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH Threapp BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE TripletRes WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner

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

You can:

Ligand

Name913064-47-8
Molecular formulaC29H29ClN4O2
IUPAC name7-chloro-2-[3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]-3H-isoindol-1-one
Molecular weight501.027
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
Synonyms7-chloro-2-{3-[9-(pyridin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carbonyl]phenyl}-2,3-dihydro-1H-isoindol-1-one
G62X909Y89
3,9-Diazaspiro(5.5)undecane, 3-(3-(7-chloro-1,3-dihydro-1-oxo-2H-isoindol-2-yl)benzoyl)-9-(4-pyridinyl)-
ARYQHSWJGHCGJS-UHFFFAOYSA-N
ELN 441958
[ Show all ]
Inchi KeyARYQHSWJGHCGJS-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H29ClN4O2/c30-25-6-2-4-22-20-34(28(36)26(22)25)24-5-1-3-21(19-24)27(35)33-17-11-29(12-18-33)9-15-32(16-10-29)23-7-13-31-14-8-23/h1-8,13-14,19H,9-12,15-18,20H2
PubChem CID11848206
ChEMBLCHEMBL1254945
IUPHARN/A
BindingDB50326710
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12902B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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