Home Research COVID-19 Publications People Teaching Job Opening 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

NameCHEMBL2347042
Molecular formulaC21H21Cl3N2
IUPAC name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-hexylpyrazole
Molecular weight407.763
Hydrogen bond acceptor1
Hydrogen bond donor0
XlogP8.3
SynonymsBDBM50431806
Inchi KeyAFGZZNBQSVRQPB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21Cl3N2/c1-2-3-4-5-6-18-14-21(15-7-9-16(22)10-8-15)26(25-18)20-12-11-17(23)13-19(20)24/h7-14H,2-6H2,1H3
PubChem CID71583402
ChEMBLCHEMBL2347042
IUPHARN/A
BindingDB50431806
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
4147Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
4146Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360

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