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

NameCHEMBL513303
Molecular formulaC32H36Cl2N2O
IUPAC name3-(1-benzylpyrrolidin-2-yl)-8-[(2-chloro-4-methylphenyl)-(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
Molecular weight535.553
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP7.5
Synonyms3-(1-benzylpyrrolidin-2-yl)-8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl)-8-azabicyclo[3.2.1]octan-3-ol
BDBM50259102
Inchi KeyAJROZQRQWUWULZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H36Cl2N2O/c1-22-13-16-27(29(34)18-22)31(26-10-5-6-11-28(26)33)36-24-14-15-25(36)20-32(37,19-24)30-12-7-17-35(30)21-23-8-3-2-4-9-23/h2-6,8-11,13,16,18,24-25,30-31,37H,7,12,14-15,17,19-21H2,1H3
PubChem CID44574630
ChEMBLCHEMBL513303
IUPHARN/A
BindingDB50259102
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7171Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
7172Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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