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

NameCHEMBL242344
Molecular formulaC12H19N3O3
IUPAC name2-amino-2-[5-(cyclohexylmethyl)-1-hydroxypyrazol-4-yl]acetic acid
Molecular weight253.302
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP-0.3
SynonymsBDBM50208757
(RS)-2-amino-(5-cyclohexylmethyl-1-hydroxy-4-pyrazolyl)acetic acid
Inchi KeyCARPBCWTCPQWEH-UHFFFAOYSA-N
Inchi IDInChI=1S/C12H19N3O3/c13-11(12(16)17)9-7-14-15(18)10(9)6-8-4-2-1-3-5-8/h7-8,11,18H,1-6,13H2,(H,16,17)
PubChem CID16739377
ChEMBLCHEMBL242344
IUPHARN/A
BindingDB50208757
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37460Metabotropic glutamate receptor 1P23385Grm1Rattus norvegicus (Rat)1199
37459Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872
558418Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
37461Metabotropic glutamate receptor 4P31423Grm4Rattus norvegicus (Rat)912

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417