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

NameCHEMBL3665845
Molecular formulaC27H25ClFN3O4
IUPAC name4-[8-[[5-chloro-2-(6-fluoropyridin-3-yl)-4-methylphenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
Molecular weight509.962
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM123261
SCHEMBL14957658
US8742110, 4-25
Inchi KeyBRWNZHZJQNZMMD-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25ClFN3O4/c1-17-12-22(19-4-7-24(29)30-14-19)20(13-23(17)28)15-31-10-8-27(9-11-31)16-32(26(35)36-27)21-5-2-18(3-6-21)25(33)34/h2-7,12-14H,8-11,15-16H2,1H3,(H,33,34)
PubChem CID86766063
ChEMBLCHEMBL3665845
IUPHARN/A
BindingDB123261
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
31426Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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