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I-TASSER D-I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK D-QUARK DRfold DRfold2 LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO ATGO 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 TCRfinder

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Ligand

NameBDBM85018
Molecular formulaC19H29ClN3O2+
IUPAC name4-amino-N-(1-butyl-1-azoniabicyclo[3.2.1]octan-4-yl)-5-chloro-2-methoxybenzamide
Molecular weight366.91
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.0
SynonymsSB205149
Inchi KeyZGRCJMHVLTUIQH-UHFFFAOYSA-O
Inchi IDInChI=1S/C19H28ClN3O2/c1-3-4-7-23-8-5-13(12-23)17(6-9-23)22-19(24)14-10-15(20)16(21)11-18(14)25-2/h10-11,13,17H,3-9,12H2,1-2H3,(H2-,21,22,24)/p+1
PubChem CID57339962
ChEMBLN/A
IUPHARN/A
BindingDB85018
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
5572465-hydroxytryptamine receptor 4P97288Htr4Mus musculus (Mouse)388

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