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

NameCHEMBL123308
Molecular formulaC27H34Cl2N2O
IUPAC nameN-[1-[3-[(3,4-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbutan-2-yl]-4-methylbenzamide
Molecular weight473.482
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP7.6
SynonymsN-{1-[3-(3,4-Dichloro-benzyl)-8-aza-bicyclo[3.2.1]oct-8-ylmethyl]-2-methyl-propyl}-4-methyl-benzamide
SCHEMBL5870665
BDBM50133790
Inchi KeyBAXRBHJRTJSVAQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34Cl2N2O/c1-17(2)26(30-27(32)21-7-4-18(3)5-8-21)16-31-22-9-10-23(31)14-20(13-22)12-19-6-11-24(28)25(29)15-19/h4-8,11,15,17,20,22-23,26H,9-10,12-14,16H2,1-3H3,(H,30,32)
PubChem CID22022826
ChEMBLCHEMBL123308
IUPHARN/A
BindingDB50133790
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19290C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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