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

NameCHEMBL2316282
Molecular formulaC20H28N2O2S
IUPAC nameN-cyclohexyl-3-methyl-4-oxo-7-pentylthieno[2,3-b]pyridine-5-carboxamide
Molecular weight360.516
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.2
SynonymsBDBM50426085
Inchi KeyFZAWWBUFWDNIHB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H28N2O2S/c1-3-4-8-11-22-12-16(18(23)17-14(2)13-25-20(17)22)19(24)21-15-9-6-5-7-10-15/h12-13,15H,3-11H2,1-2H3,(H,21,24)
PubChem CID71563277
ChEMBLCHEMBL2316282
IUPHARN/A
BindingDB50426085
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
90728Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
90730Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
90727Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
90729Cannabinoid receptor 2Q9QZN9Cnr2Rattus norvegicus (Rat)360

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