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 DMFold 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

You can:

Ligand

NameCHEMBL1078449
Molecular formulaC23H30N4O3
IUPAC nameN-[1-[(4-amino-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
Molecular weight410.518
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50311365
N-(1-(4-amino-3,5-diethoxybenzyl)piperidin-4-yl)benzo[d]oxazol-2-amine
SCHEMBL3570050
Inchi KeyBKXYGWGAVWDKTL-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30N4O3/c1-3-28-20-13-16(14-21(22(20)24)29-4-2)15-27-11-9-17(10-12-27)25-23-26-18-7-5-6-8-19(18)30-23/h5-8,13-14,17H,3-4,9-12,15,24H2,1-2H3,(H,25,26)
PubChem CID46882831
ChEMBLCHEMBL1078449
IUPHARN/A
BindingDB50311365
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26266Somatostatin receptor type 2P30874SSTR2Homo sapiens (Human)369
26265Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418
26263Somatostatin receptor type 4P31391SSTR4Homo sapiens (Human)388
26264Somatostatin receptor type 5P35346SSTR5Homo sapiens (Human)364

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