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 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

NameCHEMBL1257582
Molecular formulaC17H21BrN2OS
IUPAC name4-bromo-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole
Molecular weight381.332
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.2
Synonyms4-bromo-5-phenyl-2-(3-(piperidin-1-yl)propoxy)thiazole
BDBM50327319
Inchi KeyAIXIBSHCLMSUSK-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H21BrN2OS/c18-16-15(14-8-3-1-4-9-14)22-17(19-16)21-13-7-12-20-10-5-2-6-11-20/h1,3-4,8-9H,2,5-7,10-13H2
PubChem CID52943846
ChEMBLCHEMBL1257582
IUPHARN/A
BindingDB50327319
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6628Histamine H3 receptorQ9Y5N1HRH3Homo sapiens (Human)445

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