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

NameCHEMBL319732
Molecular formulaC26H31NO5
IUPAC name(1S,2S,3S)-2-[1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]-3-hexylcyclopropane-1-carboxylic acid
Molecular weight437.536
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.9
Synonyms(1S,2S,3S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-3-hexyl-cyclopropanecarboxylic acid
BDBM50072173
Inchi KeyHOARSDISRSQYDP-LLQWRFHZSA-N
Inchi IDInChI=1S/C26H31NO5/c1-2-3-4-5-12-18-22(24(28)29)23(18)26(27,25(30)31)15-19-16-10-6-8-13-20(16)32-21-14-9-7-11-17(19)21/h6-11,13-14,18-19,22-23H,2-5,12,15,27H2,1H3,(H,28,29)(H,30,31)/t18-,22+,23+,26?/m1/s1
PubChem CID44329031
ChEMBLCHEMBL319732
IUPHARN/A
BindingDB50072173
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
119809Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194
119806Metabotropic glutamate receptor 2P31421Grm2Rattus norvegicus (Rat)872
119811Metabotropic glutamate receptor 3P31422Grm3Rattus norvegicus (Rat)879
119807Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912
119808Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212
119810Metabotropic glutamate receptor 7Q14831GRM7Homo sapiens (Human)915
119805Metabotropic glutamate receptor 8O00222GRM8Homo sapiens (Human)908

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