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

NameCHEMBL343658
Molecular formulaC28H26F6N2O
IUPAC name4-[4-[2-[2-[3,5-bis(trifluoromethyl)phenyl]-1H-indol-3-yl]ethylamino]butyl]phenol
Molecular weight520.519
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP7.6
Synonyms4-(4-{2-[2-(3,5-Bis-trifluoromethyl-phenyl)-1H-indol-3-yl]-ethylamino}-butyl)-phenol
BDBM50096983
4-[4-[2-[2-[3,5-Bis(trifluoromethyl)phenyl]-1H-indole-3-yl]ethylamino]butyl]phenol
Inchi KeyAUPOFGLWTRODIP-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H26F6N2O/c29-27(30,31)20-15-19(16-21(17-20)28(32,33)34)26-24(23-6-1-2-7-25(23)36-26)12-14-35-13-4-3-5-18-8-10-22(37)11-9-18/h1-2,6-11,15-17,35-37H,3-5,12-14H2
PubChem CID44365093
ChEMBLCHEMBL343658
IUPHARN/A
BindingDB50096983
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14867Gonadotropin-releasing hormone receptorP30969GnrhrRattus norvegicus (Rat)327

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