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I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe ResQ IonCom STRUM DAMpred

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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

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Ligand

NameCHEMBL1202052
Molecular formulaC24H41N3O7
IUPAC nametert-butyl N-[8-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-8-oxooctyl]carbamate;oxalic acid
Molecular weight483.606
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyGLAHQGOSHONWMZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H39N3O3.C2H2O4/c1-22(2,3)28-21(27)23-15-9-7-5-6-8-14-20(26)24(4)16-10-11-17-25-18-12-13-19-25;3-1(4)2(5)6/h5-9,12-19H2,1-4H3,(H,23,27);(H,3,4)(H,5,6)
PubChem CID49859883
ChEMBLCHEMBL1202052
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
99149Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
99150Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
99151Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

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