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

NameCHEMBL123124
Molecular formulaC44H63ClN3O4P
IUPAC nametributyl-[[4-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]phenyl]methyl]phosphanium;chloride
Molecular weight764.429
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogPNone
SynonymsN/A
Inchi KeyBGJMHVLHQNWQEJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C44H62N3O4P.ClH/c1-7-10-28-52(29-11-8-2,30-12-9-3)33-35-22-25-38(26-23-35)45-41(48)40-31-36-20-16-17-21-37(36)32-47(40)42(49)39(46-43(50)51-44(4,5)6)27-24-34-18-14-13-15-19-34;/h13-23,25-26,39-40H,7-12,24,27-33H2,1-6H3,(H-,45,46,48,50);1H
PubChem CID44347756
ChEMBLCHEMBL123124
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
23063B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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