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

NameCHEMBL134843
Molecular formulaC17H25NO6
IUPAC name2-[(3-methylbutylamino)methyl]-3,4-dihydro-2H-chromen-7-ol;oxalic acid
Molecular weight339.388
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogPNone
SynonymsSCHEMBL7311582
Inchi KeyAEIFXZHCJWNECR-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H23NO2.C2H2O4/c1-11(2)7-8-16-10-14-6-4-12-3-5-13(17)9-15(12)18-14;3-1(4)2(5)6/h3,5,9,11,14,16-17H,4,6-8,10H2,1-2H3;(H,3,4)(H,5,6)
PubChem CID21479400
ChEMBLCHEMBL134843
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
34885-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
3489D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
3490D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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