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

NameCHEMBL2163571
Molecular formulaC28H35N3O3
IUPAC nameN-(1-adamantyl)-2-ethyl-10-oxo-6-pyrrolidin-1-yl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxamide
Molecular weight461.606
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.2
SynonymsN-(1-Adamantyl)-3-ethyl-10-pyrrolizino-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzooxazine-6-carboxamide
BDBM50395150
J3.566.426B
Inchi KeyAQFXWTYTJAHYTB-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H35N3O3/c1-2-20-16-34-26-23(30-7-3-4-8-30)6-5-21-24(26)31(20)15-22(25(21)32)27(33)29-28-12-17-9-18(13-28)11-19(10-17)14-28/h5-6,15,17-20H,2-4,7-14,16H2,1H3,(H,29,33)
PubChem CID60196094
ChEMBLCHEMBL2163571
IUPHARN/A
BindingDB50395150
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
11658Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
11660Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
11659Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
11661Cannabinoid receptor 2Q9QZN9Cnr2Rattus norvegicus (Rat)360

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