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

NameCHEMBL1202037
Molecular formulaC23H38N4O8
IUPAC nametert-butyl N-[3-[[4-[methyl(4-pyrrolidin-1-ylbut-2-ynyl)amino]-4-oxobutyl]amino]-3-oxopropyl]carbamate;oxalic acid
Molecular weight498.577
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogPNone
SynonymsN/A
Inchi KeyNFWKPBRVJWDIDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H36N4O4.C2H2O4/c1-21(2,3)29-20(28)23-13-11-18(26)22-12-9-10-19(27)24(4)14-5-6-15-25-16-7-8-17-25;3-1(4)2(5)6/h7-17H2,1-4H3,(H,22,26)(H,23,28);(H,3,4)(H,5,6)
PubChem CID49859868
ChEMBLCHEMBL1202037
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

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
222336Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
222335Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478

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