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

NameCHEMBL520159
Molecular formulaC12H16N6
IUPAC name5-cyclopentyl-3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
Molecular weight244.302
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM50277709
SCHEMBL5406014
5-cyclopentyl-3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
Inchi KeyYIPHWVJKBJZSBL-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H16N6/c1-2-4-7(3-1)8-5-9-10(6-8)13-14-11(9)12-15-17-18-16-12/h7-8H,1-6H2,(H,13,14)(H,15,16,17,18)
PubChem CID11299550
ChEMBLCHEMBL520159
IUPHARN/A
BindingDB50277709
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
411070Hydroxycarboxylic acid receptor 2Q9EP66Hcar2Mus musculus (Mouse)360
411071Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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