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

NameCHEMBL392836
Molecular formulaC21H15Cl3N2O
IUPAC name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-propan-2-yloxypyridine-3-carbonitrile
Molecular weight417.714
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP6.8
SynonymsBDBM50204175
SCHEMBL5363416
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-isopropoxynicotinonitrile
Inchi KeyAAZPJOPTMNOCRC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H15Cl3N2O/c1-12(2)27-21-14(11-25)9-18(13-3-5-15(22)6-4-13)20(26-21)17-8-7-16(23)10-19(17)24/h3-10,12H,1-2H3
PubChem CID10287827
ChEMBLCHEMBL392836
IUPHARN/A
BindingDB50204175
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
665Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
666Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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