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

NameCHEMBL141447
Molecular formulaC24H19N5S
IUPAC name2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylsulfanyl]quinoline
Molecular weight409.511
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.4
Synonyms2-Methyl-4-[[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methylthio]quinoline
2-Methyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethylsulfanyl]-quinoline
2-Methyl-4-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethylsulfanyl]-quinoline
BDBM50003406
Inchi KeyNXGPCSIDUWFMTK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H19N5S/c1-16-14-23(21-8-4-5-9-22(21)25-16)30-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24-26-28-29-27-24/h2-14H,15H2,1H3,(H,26,27,28,29)
PubChem CID10252966
ChEMBLCHEMBL141447
IUPHARN/A
BindingDB50003406
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
234322Type-1 angiotensin II receptorQ9WV26AGTR1Cavia porcellus (Guinea pig)359

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