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

NameCHEMBL178667
Molecular formulaC20H31ClN4O2
IUPAC name5-(4-chloro-2-methoxyphenyl)-N-heptan-3-yl-1-methyl-N-propoxy-1,2,4-triazol-3-amine
Molecular weight394.944
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP6.4
SynonymsBDBM50162469
N-[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-N-(1-ethyl-pentyl)-O-propyl-hydroxylamine
Inchi KeyARYDVTOLYSXEQB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H31ClN4O2/c1-6-9-10-16(8-3)25(27-13-7-2)20-22-19(24(4)23-20)17-12-11-15(21)14-18(17)26-5/h11-12,14,16H,6-10,13H2,1-5H3
PubChem CID44388401
ChEMBLCHEMBL178667
IUPHARN/A
BindingDB50162469
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
12883Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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