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

NameSCHEMBL606792
Molecular formulaC17H20FN5
IUPAC name14-fluoro-6-piperazin-1-yl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaen-4-amine
Molecular weight313.38
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.3
SynonymsCHEMBL523225
14-fluoro-6-(piperazin-1-yl)-3,5-diazatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
BDBM26399
2,4-diamino-5,6-disubstituted pyrimidine, 13
Inchi KeyZKRHBPHZPPNOHI-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20FN5/c18-12-5-4-11-2-1-3-13-15(14(11)10-12)21-17(19)22-16(13)23-8-6-20-7-9-23/h4-5,10,20H,1-3,6-9H2,(H2,19,21,22)
PubChem CID25128824
ChEMBLCHEMBL523225
IUPHARN/A
BindingDB26399
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
430876Histamine H4 receptorQ91ZY2Hrh4Mus musculus (Mouse)391
430877Histamine H4 receptorQ9H3N8HRH4Homo sapiens (Human)390
430878Histamine H4 receptorQ91ZY1Hrh4Rattus norvegicus (Rat)391

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417