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 ●DMFold ●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

NameCHEMBL3400216
Molecular formulaC29H34N2O
IUPAC name(1R,2R)-N-[(2S,3S)-2-amino-3-methylpentyl]-2-(3-methylphenyl)-N-(4-phenylphenyl)cyclopropane-1-carboxamide
Molecular weight426.604
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.9
SynonymsBDBM50065734
Inchi KeyDPHOSZXWSBLJKO-SKOFVLAMSA-N
Inchi IDInChI=1S/C29H34N2O/c1-4-21(3)28(30)19-31(25-15-13-23(14-16-25)22-10-6-5-7-11-22)29(32)27-18-26(27)24-12-8-9-20(2)17-24/h5-17,21,26-28H,4,18-19,30H2,1-3H3/t21-,26-,27+,28+/m0/s1
PubChem CID118727625
ChEMBLCHEMBL3400216
IUPHARN/A
BindingDB50065734
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
444279Probable G-protein coupled receptor 88Q9GZN0GPR88Homo sapiens (Human)384

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218