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

NameCHEMBL480114
Molecular formulaC27H34N10O2
IUPAC name5-[3-(diaminomethylideneamino)propanoylamino]-1-[3-(diaminomethylideneamino)propyl]-N-[2-(1H-indol-3-yl)ethyl]indole-2-carboxamide
Molecular weight530.637
Hydrogen bond acceptor4
Hydrogen bond donor7
XlogP0.0
SynonymsSCHEMBL17974106
Inchi KeyCGZUGSQBAVEODG-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34N10O2/c28-26(29)33-10-3-13-37-22-7-6-19(36-24(38)9-12-34-27(30)31)14-18(22)15-23(37)25(39)32-11-8-17-16-35-21-5-2-1-4-20(17)21/h1-2,4-7,14-16,35H,3,8-13H2,(H,32,39)(H,36,38)(H4,28,29,33)(H4,30,31,34)
PubChem CID44561484
ChEMBLCHEMBL480114
IUPHARN/A
BindingDBN/A
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
41781C-X-C chemokine receptor type 4P61073CXCR4Homo sapiens (Human)352

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