Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL337696
Molecular formulaC20H24N2O7S
IUPAC nameN-[2-[(benzylamino)methyl]-3,4-dihydro-2H-chromen-7-yl]methanesulfonamide;oxalic acid
Molecular weight436.479
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyADBHAOWZUBHQLG-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H22N2O3S.C2H2O4/c1-24(21,22)20-16-9-7-15-8-10-17(23-18(15)11-16)13-19-12-14-5-3-2-4-6-14;3-1(4)2(5)6/h2-7,9,11,17,19-20H,8,10,12-13H2,1H3;(H,3,4)(H,5,6)
PubChem CID44356275
ChEMBLCHEMBL337696
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
21055-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
2104D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444
2106D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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