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

NameCHEMBL1076865
Molecular formulaC7H13ClNO6P
IUPAC name(2S)-2-amino-4-[(2-carboxy-2-chloroethyl)-hydroxyphosphoryl]butanoic acid
Molecular weight273.606
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP-4.1
SynonymsBDBM50314797
(3S)-3-[((3-Amino-3-carboxy)propyl)(hydroxy)phosphinyl]-2-chloropropanoic Acid
Inchi KeyFQUOPRSIELVFTB-AKGZTFGVSA-N
Inchi IDInChI=1S/C7H13ClNO6P/c8-4(6(10)11)3-16(14,15)2-1-5(9)7(12)13/h4-5H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4?,5-/m0/s1
PubChem CID46197780
ChEMBLCHEMBL1076865
IUPHARN/A
BindingDB50314797
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
85071Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872
559915Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
85067Metabotropic glutamate receptor 4P31423Grm4Rattus norvegicus (Rat)912
85070Metabotropic glutamate receptor 6P35349Grm6Rattus norvegicus (Rat)871
85069Metabotropic glutamate receptor 7P35400Grm7Rattus norvegicus (Rat)915
85068Metabotropic glutamate receptor 8P70579Grm8Rattus norvegicus (Rat)908

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