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

NameMLS002249163
Molecular formulaC15H16N4O5S2
IUPAC name3-nitro-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)benzamide
Molecular weight396.436
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP1.4
Synonyms3-nitro-4-[4-(2-thienylsulfonyl)piperazino]benzamide
Z31101881
HMS3067C16
3-nitro-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)benzamide
AKOS034151671
[ Show all ]
Inchi KeyHTBGYCAMPKEQMQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H16N4O5S2/c16-15(20)11-3-4-12(13(10-11)19(21)22)17-5-7-18(8-6-17)26(23,24)14-2-1-9-25-14/h1-4,9-10H,5-8H2,(H2,16,20)
PubChem CID3932658
ChEMBLCHEMBL1709973
IUPHARN/A
BindingDB97168
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
123281Galanin receptor type 3O60755GALR3Homo sapiens (Human)368
478123Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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