Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL480165
Molecular formulaC24H29Cl2N3O2
IUPAC name3,4-dichloro-N-[(3S)-1-[2-(4-piperidin-4-yloxyphenyl)ethyl]pyrrolidin-3-yl]benzamide
Molecular weight462.415
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.7
Synonyms(S)-N-(1-(4-(piperidin-4-yloxy)phenethyl)pyrrolidin-3-yl)-3,4-dichlorobenzamide
BDBM50252241
Inchi KeyDPNJNFFAQJQRRQ-IBGZPJMESA-N
Inchi IDInChI=1S/C24H29Cl2N3O2/c25-22-6-3-18(15-23(22)26)24(30)28-19-10-14-29(16-19)13-9-17-1-4-20(5-2-17)31-21-7-11-27-12-8-21/h1-6,15,19,21,27H,7-14,16H2,(H,28,30)/t19-/m0/s1
PubChem CID44568428
ChEMBLCHEMBL480165
IUPHARN/A
BindingDB50252241
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
65778Urotensin-2 receptorQ9UKP6UTS2RHomo sapiens (Human)389

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