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

NameCID 44341209
Molecular formulaC20H23N3O6
IUPAC name(Z)-but-2-enedioic acid;(NE)-N-[cyclopropyl-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methylidene]hydroxylamine
Molecular weight401.419
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyBIIQQIRSOCKKOA-IZUXXJOMSA-N
Inchi IDInChI=1S/C16H19N3O2.C4H4O4/c20-19-16(12-3-4-12)13-5-7-15(8-6-13)21-9-1-2-14-10-17-11-18-14;5-3(6)1-2-4(7)8/h5-8,10-12,20H,1-4,9H2,(H,17,18);1-2H,(H,5,6)(H,7,8)/b19-16+;2-1-
PubChem CID44341209
ChEMBLCHEMBL116270
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
24487Histamine H1 receptorP31389HRH1Cavia porcellus (Guinea pig)488
24488Histamine H2 receptorP47747HRH2Cavia porcellus (Guinea pig)359
24489Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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