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

NameCHEMBL1760207
Molecular formulaC23H24ClN3O2
IUPAC name[5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
Molecular weight409.914
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50341082
(5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl)(4-(2-methoxyphenyl)piperazin-1-yl)methanone
Inchi KeyBWZWPNQYJPXCPE-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24ClN3O2/c1-16-19(15-20(25-16)17-7-9-18(24)10-8-17)23(28)27-13-11-26(12-14-27)21-5-3-4-6-22(21)29-2/h3-10,15,25H,11-14H2,1-2H3
PubChem CID54584865
ChEMBLCHEMBL1760207
IUPHARN/A
BindingDB50341082
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
34909Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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