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

NameCHEMBL2112586
Molecular formulaC18H27NO4
IUPAC name(1S,2S)-2-[3-(1-adamantyl)-1-amino-1-carboxypropyl]cyclopropane-1-carboxylic acid
Molecular weight321.417
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP0.5
Synonymsalpha-Amino-alpha-[2-(adamantan-1-yl)ethyl]-2beta-carboxycyclopropane-1alpha-acetic acid
BDBM50408688
Inchi KeyMPKHVTSOJQASTK-SWBCKKISSA-N
Inchi IDInChI=1S/C18H27NO4/c19-18(16(22)23,14-6-13(14)15(20)21)2-1-17-7-10-3-11(8-17)5-12(4-10)9-17/h10-14H,1-9,19H2,(H,20,21)(H,22,23)/t10?,11?,12?,13-,14-,17?,18?/m0/s1
PubChem CID10567792
ChEMBLCHEMBL2112586
IUPHARN/A
BindingDB50408688
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
211177Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
211178Metabotropic glutamate receptor 3Q14832GRM3Homo sapiens (Human)879

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