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

NameR-76186
Molecular formulaC25H40ClN5O4
IUPAC name4-amino-5-chloro-N-[1-[4-[4-(dimethylamino)piperidin-1-yl]-4-oxobutyl]-3-methoxypiperidin-4-yl]-2-methoxybenzamide
Molecular weight510.076
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.7
SynonymsBDBM85019
RN 76186
4-Amino-5-chloro-N-(1-{4-[4-(dimethylamino)-1-piperidinyl]-4-oxobutyl}-3-methoxy-4-piperidinyl)-2-methoxybenzamide
L002566
Inchi KeyYEXQFGBCXUNVRL-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H40ClN5O4/c1-29(2)17-7-12-31(13-8-17)24(32)6-5-10-30-11-9-21(23(16-30)35-4)28-25(33)18-14-19(26)20(27)15-22(18)34-3/h14-15,17,21,23H,5-13,16,27H2,1-4H3,(H,28,33)
PubChem CID9936120
ChEMBLN/A
IUPHARN/A
BindingDB85019
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5571855-hydroxytryptamine receptor 4P97288Htr4Mus musculus (Mouse)388

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