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

NameBDBM80056
Molecular formulaC24H22N4O8S
IUPAC name2-[[4-[(3-methoxy-4-prop-2-enoxyphenyl)methyldiazenyl]-3-nitrophenyl]sulfonylamino]benzoic acid
Molecular weight526.52
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP4.7
Synonyms2-[[4-[N''-(4-allyloxy-3-methoxy-benzylidene)hydrazino]-3-nitro-phenyl]sulfonylamino]benzoic acid
cid_4263533
2-[[4-[2-[(3-methoxy-4-prop-2-enoxy-phenyl)methylidene]hydrazinyl]-3-nitro-phenyl]sulfonylamino]benzoic acid
Inchi KeyBFEJREJKLHAUJP-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22N4O8S/c1-3-12-36-22-11-8-16(13-23(22)35-2)15-25-26-20-10-9-17(14-21(20)28(31)32)37(33,34)27-19-7-5-4-6-18(19)24(29)30/h3-11,13-14,27H,1,12,15H2,2H3,(H,29,30)
PubChem CID91898302
ChEMBLN/A
IUPHARN/A
BindingDB80056
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
22234C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374

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