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

NameCHEMBL3955335
Molecular formulaC27H33FN2O2
IUPAC name[4-(dimethylamino)-4-(3-fluorophenyl)-1-(3-methyl-1H-indol-2-yl)cyclohexyl] butanoate
Molecular weight436.571
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM239920
US9403767, 96
Inchi KeyBHEOTZCBJJMAMZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H33FN2O2/c1-5-9-24(31)32-27(25-19(2)22-12-6-7-13-23(22)29-25)16-14-26(15-17-27,30(3)4)20-10-8-11-21(28)18-20/h6-8,10-13,18,29H,5,9,14-17H2,1-4H3
PubChem CID134144744
ChEMBLCHEMBL3955335
IUPHARN/A
BindingDB239920
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
548158Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
548157Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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