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

NameCHEMBL1651208
Molecular formulaC27H24ClNO4
IUPAC name2-chloro-5-[3-[(2-cyclopentyl-1-oxo-3H-isoindol-5-yl)oxymethyl]phenyl]benzoic acid
Molecular weight461.942
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.5
SynonymsSCHEMBL787354
4-Chloro-3''-((2-cyclopentyl-1-oxoisoindolin-5-yloxy)methyl)-biphenyl-3-carboxylic Acid
BDBM50335253
DWTYHCYVKJONSP-UHFFFAOYSA-N
4-Chloro-3'-((2-cyclopentyl-1-oxoisoindolin-5-yloxy)-methyl)biphenyl-3-carboxylic acid
Inchi KeyDWTYHCYVKJONSP-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H24ClNO4/c28-25-11-8-19(14-24(25)27(31)32)18-5-3-4-17(12-18)16-33-22-9-10-23-20(13-22)15-29(26(23)30)21-6-1-2-7-21/h3-5,8-14,21H,1-2,6-7,15-16H2,(H,31,32)
PubChem CID46182745
ChEMBLCHEMBL1651208
IUPHARN/A
BindingDB50335253
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 38
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
709025-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4444625-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390
708945-hydroxytryptamine receptor 1DP28221HTR1DHomo sapiens (Human)377
709065-hydroxytryptamine receptor 1EP28566HTR1EHomo sapiens (Human)365
708815-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
708905-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
708885-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
709055-hydroxytryptamine receptor 5AP47898HTR5AHomo sapiens (Human)357
708955-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
709165-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
70898Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
70914Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
70884Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
70882Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
70907Alpha-2B adrenergic receptorP18089ADRA2BHomo sapiens (Human)450
70903Alpha-2C adrenergic receptorP18825ADRA2CHomo sapiens (Human)462
70910Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
70915Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
70896Beta-3 adrenergic receptorP13945ADRB3Homo sapiens (Human)408
70912D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446

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