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

NameCHEMBL202396
Molecular formulaC18H13ClN4OS2
IUPAC name7-chloro-5-[(3-phenoxyphenyl)methylsulfanyl]-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
Molecular weight400.899
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.5
SynonymsSCHEMBL6869012
ZINC28568802
Inchi KeyBBRPBHRKHWZOSQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H13ClN4OS2/c19-15-14-16(22-17(20)26-14)23-18(21-15)25-10-11-5-4-8-13(9-11)24-12-6-2-1-3-7-12/h1-9H,10H2,(H2,20,21,22,23)
PubChem CID22649172
ChEMBLCHEMBL202396
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
19792C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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