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

NameAC1NDJ6I
Molecular formulaC24H19ClN2OS
IUPAC name2-(3-chlorophenyl)sulfanyl-N-(2-phenylethyl)quinoline-4-carboxamide
Molecular weight418.939
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.5
SynonymsHMS1914L12
2-[(3-chlorophenyl)thio]-N-(2-phenylethyl)quinoline-4-carboxamide
MolPort-007-937-235
K786-8520
NCGC00140130-01
[ Show all ]
Inchi KeyADWNBCZLHQBTTK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H19ClN2OS/c25-18-9-6-10-19(15-18)29-23-16-21(20-11-4-5-12-22(20)27-23)24(28)26-14-13-17-7-2-1-3-8-17/h1-12,15-16H,13-14H2,(H,26,28)
PubChem CID4576745
ChEMBLCHEMBL1513358
IUPHARN/A
BindingDBN/A
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
463269Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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