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

NameCHEMBL105122
Molecular formulaC23H24N2O3S
IUPAC nameethyl 6-methyl-17-methylsulfanyl-12-oxa-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate
Molecular weight408.516
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.4
SynonymsN/A
Inchi KeyBLBSVEUIBHKGSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H24N2O3S/c1-4-27-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(29-3)5-6-16(14)22(25)28-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
PubChem CID11143997
ChEMBLCHEMBL105122
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
26380Muscarinic acetylcholine receptor M1P11229CHRM1Homo sapiens (Human)460
26378Muscarinic acetylcholine receptor M2P08172CHRM2Homo sapiens (Human)466
26379Muscarinic acetylcholine receptor M3P20309CHRM3Homo sapiens (Human)590
26382Muscarinic acetylcholine receptor M4P08173CHRM4Homo sapiens (Human)479
26381Muscarinic acetylcholine receptor M5P08912CHRM5Homo sapiens (Human)532

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