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

NameMLS001105136
Molecular formulaC20H29N3O4S
IUPAC name4-[4-[(1S,4S)-2-azabicyclo[2.2.1]heptane-2-carbonyl]phenoxy]-N,N-dimethylpiperidine-1-sulfonamide
Molecular weight407.529
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.0
SynonymsCHEMBL1380154
MolPort-005-079-611
HMS2985P13
ZINC100917981
MCULE-6863026789
[ Show all ]
Inchi KeyAHQPFGVMHJJOQX-RDJZCZTQSA-N
Inchi IDInChI=1S/C20H29N3O4S/c1-21(2)28(25,26)22-11-9-19(10-12-22)27-18-7-4-16(5-8-18)20(24)23-14-15-3-6-17(23)13-15/h4-5,7-8,15,17,19H,3,6,9-14H2,1-2H3/t15-,17-/m0/s1
PubChem CID24791674
ChEMBLCHEMBL1380154
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
463582Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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