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

NameCHEMBL2349181
Molecular formulaC17H20ClN5O2S2
IUPAC name5-[(1S)-1-(4-chloropyridin-3-yl)ethyl]sulfanyl-7-[[(2R)-1-hydroxypentan-2-yl]amino]-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
Molecular weight425.95
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP3.5
SynonymsBDBM50432465
Inchi KeyWKNNSCHBIPUNFV-VHSXEESVSA-N
Inchi IDInChI=1S/C17H20ClN5O2S2/c1-3-4-10(8-24)20-14-13-15(23-17(25)27-13)22-16(21-14)26-9(2)11-7-19-6-5-12(11)18/h5-7,9-10,24H,3-4,8H2,1-2H3,(H2,20,21,22,23,25)/t9-,10+/m0/s1
PubChem CID71720196
ChEMBLCHEMBL2349181
IUPHARN/A
BindingDB50432465
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
375627C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360
375626CX3C chemokine receptor 1P49238CX3CR1Homo sapiens (Human)355

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