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

NameCHEMBL3650361
Molecular formulaC28H38F3N3O3
IUPAC name[(2R,3aR,6aR)-2-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[(1S,4S)-5-[2-methyl-5-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
Molecular weight521.625
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM140207
SCHEMBL15282706
US8906911, 16
Inchi KeyAWPPRZUKCCLSNF-BUZATDFISA-N
Inchi IDInChI=1S/C28H38F3N3O3/c1-17-5-6-19(28(29,30)31)11-24(17)33-14-22-12-21(33)15-34(22)26(35)27-8-3-4-18(27)10-20(13-27)32-23-7-9-37-16-25(23)36-2/h5-6,11,18,20-23,25,32H,3-4,7-10,12-16H2,1-2H3/t18-,20-,21+,22+,23+,25-,27-/m1/s1
PubChem CID89823498
ChEMBLCHEMBL3650361
IUPHARN/A
BindingDB140207
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16255C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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