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

NameCHEMBL1793833
Molecular formulaC37H58N6O7
IUPAC name(2S)-2-[[(2S,3S)-2-[[[3-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]amino]phenyl]-[(4-hydroxyphenyl)methyl]carbamoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight698.906
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP3.2
SynonymsBDBM50366371
Inchi KeyVTCHWKPDSGSTEU-DXUTUMGHSA-N
Inchi IDInChI=1S/C37H58N6O7/c1-8-25(4)32(33(45)41-31(34(46)47)20-24(2)3)42-35(48)43(23-26-15-17-30(44)18-16-26)29-14-11-13-27(21-29)39-22-28(12-9-10-19-38)40-36(49)50-37(5,6)7/h11,13-18,21,24-25,28,31-32,39,44H,8-10,12,19-20,22-23,38H2,1-7H3,(H,40,49)(H,41,45)(H,42,48)(H,46,47)/t25-,28-,31-,32-/m0/s1
PubChem CID56675174
ChEMBLCHEMBL1793833
IUPHARN/A
BindingDB50366371
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
363632Neurotensin receptor type 1P20789Ntsr1Rattus norvegicus (Rat)424

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