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

NameCHEMBL131120
Molecular formulaC14H22N4
IUPAC nameN-[2-(2H-benzotriazol-5-yl)ethyl]-N-propylpropan-1-amine
Molecular weight246.358
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.1
Synonyms[2-(3H-Benzotriazol-5-yl)-ethyl]-dipropyl-amine
BDBM50279972
N,N-Dipropyl-1H-benzotriazole-5-(ethanamine)
Inchi KeyFDQPYJACWKLJIS-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H22N4/c1-3-8-18(9-4-2)10-7-12-5-6-13-14(11-12)16-17-15-13/h5-6,11H,3-4,7-10H2,1-2H3,(H,15,16,17)
PubChem CID10399692
ChEMBLCHEMBL131120
IUPHARN/A
BindingDB50279972
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
75808D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
75809D(2) dopamine receptorP20288DRD2Bos taurus (Bovine)444

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