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

NameCHEMBL130989
Molecular formulaC20H24N2O6
IUPAC name(Z)-but-2-enedioic acid;1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]butan-1-one
Molecular weight388.42
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyJGNWADISBPISID-BTJKTKAUSA-N
Inchi IDInChI=1S/C16H20N2O2.C4H4O4/c1-2-4-16(19)13-6-8-15(9-7-13)20-10-3-5-14-11-17-12-18-14;5-3(6)1-2-4(7)8/h6-9,11-12H,2-5,10H2,1H3,(H,17,18);1-2H,(H,5,6)(H,7,8)/b;2-1-
PubChem CID44352094
ChEMBLCHEMBL130989
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
150452Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
150456Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
150453Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445
150454Histamine H3 receptorP58406Hrh3Mus musculus (Mouse)445
150455Histamine H3 receptorQ9JI35HRH3Cavia porcellus (Guinea pig)445

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