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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL2016601
Molecular formulaC33H38Cl2N4O3S
IUPAC name2-[1-(3,4-dichlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-2-yl]-N-[4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]acetamide
Molecular weight641.652
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.7
SynonymsBDBM50381278
Inchi KeyBDISLKREUIUNSD-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38Cl2N4O3S/c34-30-15-14-29(23-31(30)35)43(41,42)39-28(11-8-24-6-2-3-7-32(24)39)22-33(40)36-25-9-12-26(13-10-25)38-20-16-27(17-21-38)37-18-4-1-5-19-37/h2-3,6-7,9-10,12-15,23,27-28H,1,4-5,8,11,16-22H2,(H,36,40)
PubChem CID70691813
ChEMBLCHEMBL2016601
IUPHARN/A
BindingDB50381278
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
20967B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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