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

NameCHEMBL2440897
Molecular formulaC47H66F3N11O11
IUPAC nameN'-[2-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]ethyl]-N-[2-[[N'-[(4S)-5-[[4-[(carbamoylamino)methyl]phenyl]methylamino]-4-[(2,2-diphenylacetyl)amino]-5-oxopentyl]carbamimidoyl]carbamoylamino]ethyl]butanediamide;2,2,2-trifluoroacetic acid
Molecular weight1018.11
Hydrogen bond acceptor16
Hydrogen bond donor11
XlogPNone
SynonymsN/A
Inchi KeyDOLVYXIAWXUFAZ-JFRIYMKVSA-N
Inchi IDInChI=1S/C45H65N11O9.C2HF3O2/c46-20-8-25-63-27-29-65-30-28-64-26-24-50-39(58)19-18-38(57)49-22-23-52-45(62)56-43(47)51-21-7-13-37(41(59)53-31-33-14-16-34(17-15-33)32-54-44(48)61)55-42(60)40(35-9-3-1-4-10-35)36-11-5-2-6-12-36;3-2(4,5)1(6)7/h1-6,9-12,14-17,37,40H,7-8,13,18-32,46H2,(H,49,57)(H,50,58)(H,53,59)(H,55,60)(H3,48,54,61)(H4,47,51,52,56,62);(H,6,7)/t37-;/m0./s1
PubChem CID73354087
ChEMBLCHEMBL2440897
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
65088Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
65086Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
65087Neuropeptide Y receptor type 4P50391NPY4RHomo sapiens (Human)375
65085Neuropeptide Y receptor type 5Q15761NPY5RHomo sapiens (Human)445

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