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

NameCHEMBL2348458
Molecular formulaC25H32O3
IUPAC name(6aR,10aR)-3-(1-adamantyl)-1-hydroxy-6,6-dimethyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
Molecular weight380.528
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50432731
Inchi KeyCSBZGWGFNNIKFV-SQWXZCMASA-N
Inchi IDInChI=1S/C25H32O3/c1-24(2)20-4-3-18(26)10-19(20)23-21(27)8-17(9-22(23)28-24)25-11-14-5-15(12-25)7-16(6-14)13-25/h8-9,14-16,19-20,27H,3-7,10-13H2,1-2H3/t14?,15?,16?,19-,20-,25?/m1/s1
PubChem CID71661529
ChEMBLCHEMBL2348458
IUPHARN/A
BindingDB50432731
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
49338Cannabinoid receptor 1P20272Cnr1Rattus norvegicus (Rat)473
49339Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
49340Cannabinoid receptor 2P47936Cnr2Mus musculus (Mouse)347

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