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

NameCHEMBL327531
Molecular formulaC16H17ClN6O
IUPAC nameN-(4-chlorophenyl)-8-methyl-2-morpholin-4-yl-7H-purin-6-amine
Molecular weight344.803
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50285954
(4-Chloro-phenyl)-(8-methyl-2-morpholin-4-yl-9H-purin-6-yl)-amine
Inchi KeyAXPOPRDPHLQAKM-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H17ClN6O/c1-10-18-13-14(19-10)21-16(23-6-8-24-9-7-23)22-15(13)20-12-4-2-11(17)3-5-12/h2-5H,6-9H2,1H3,(H2,18,19,20,21,22)
PubChem CID44329163
ChEMBLCHEMBL327531
IUPHARN/A
BindingDB50285954
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
16947Substance-K receptorP51144TACR2Mesocricetus auratus (Golden hamster)384
16948Substance-K receptorP21452TACR2Homo sapiens (Human)398

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