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

Name201943-63-7
Molecular formulaC20H19NO5
IUPAC name(1S,2S)-2-[(1S)-1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]cyclopropane-1-carboxylic acid
Molecular weight353.374
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP-0.2
SynonymsLY 341495
RL02516
(S)-2-[(S)-1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-cyclopropanecarboxylic acid
ABP000453
BC638757
[ Show all ]
Inchi KeyVLZBRVJVCCNPRJ-KPHUOKFYSA-N
Inchi IDInChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
PubChem CID9819927
ChEMBLCHEMBL432038
IUPHARN/A
BindingDB50062522
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 14
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
358349Metabotropic glutamate receptor 1P23385Grm1Rattus norvegicus (Rat)1199
358357Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
358348Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872
358354Metabotropic glutamate receptor 2Q14416GRM2Homo sapiens (Human)872
358346Metabotropic glutamate receptor 3P31422Grm3Rattus norvegicus (Rat)879
358350Metabotropic glutamate receptor 3Q14832GRM3Homo sapiens (Human)879
358353Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912
358358Metabotropic glutamate receptor 4P31423Grm4Rattus norvegicus (Rat)912
358345Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212
358347Metabotropic glutamate receptor 5P31424Grm5Rattus norvegicus (Rat)1203
358356Metabotropic glutamate receptor 6P35349Grm6Rattus norvegicus (Rat)871
358352Metabotropic glutamate receptor 7Q14831GRM7Homo sapiens (Human)915
358355Metabotropic glutamate receptor 7P35400Grm7Rattus norvegicus (Rat)915
358351Metabotropic glutamate receptor 8O00222GRM8Homo sapiens (Human)908

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