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

NameCHEMBL358948
Molecular formulaC19H15N3O2S2
IUPAC name2-methylsulfanyl-3-naphthalen-2-ylsulfonylpyrido[1,2-a]pyrimidin-4-imine
Molecular weight381.468
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.2
SynonymsBDBM50134809
SCHEMBL6293646
2-Methylsulfanyl-3-(naphthalene-2-sulfonyl)-pyrido[1,2-a]pyrimidin-(4Z)-ylideneamine
Inchi KeyABACOHMKABNQSM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H15N3O2S2/c1-25-19-17(18(20)22-11-5-4-8-16(22)21-19)26(23,24)15-10-9-13-6-2-3-7-14(13)12-15/h2-12,20H,1H3
PubChem CID10362440
ChEMBLCHEMBL358948
IUPHARN/A
BindingDB50134809
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6835-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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