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

NameCHEMBL235012
Molecular formulaC19H25N7O3
IUPAC namemethyl 3-[5-[(1R)-1-[(2-amino-2-methylpropanoyl)amino]-2-(1H-indol-3-yl)ethyl]tetrazol-1-yl]propanoate
Molecular weight399.455
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP0.3
SynonymsBDBM50222138
(R)-methyl 3-(5-(1-(2-amino-2-methylpropanamido)-2-(1H-indol-3-yl)ethyl)-1H-tetrazol-1-yl)propanoate
Inchi KeyAWZYAFVOPINYSN-OAHLLOKOSA-N
Inchi IDInChI=1S/C19H25N7O3/c1-19(2,20)18(28)22-15(10-12-11-21-14-7-5-4-6-13(12)14)17-23-24-25-26(17)9-8-16(27)29-3/h4-7,11,15,21H,8-10,20H2,1-3H3,(H,22,28)/t15-/m1/s1
PubChem CID44434018
ChEMBLCHEMBL235012
IUPHARN/A
BindingDB50222138
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16485Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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