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

NameCHEMBL2208078
Molecular formulaC29H32N6O4
IUPAC nameN-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-3-benzoylbenzamide
Molecular weight528.613
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP2.0
SynonymsN/A
Inchi KeyITWUPMKAQLICAA-ZEQRLZLVSA-N
Inchi IDInChI=1S/C29H32N6O4/c30-26(37)24(17-19-9-3-1-4-10-19)35-28(39)23(15-8-16-33-29(31)32)34-27(38)22-14-7-13-21(18-22)25(36)20-11-5-2-6-12-20/h1-7,9-14,18,23-24H,8,15-17H2,(H2,30,37)(H,34,38)(H,35,39)(H4,31,32,33)/t23-,24-/m0/s1
PubChem CID71454334
ChEMBLCHEMBL2208078
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
141684Neuropeptide FF receptor 1Q9GZQ6NPFFR1Homo sapiens (Human)430
141685Neuropeptide FF receptor 2Q9Y5X5NPFFR2Homo sapiens (Human)522

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