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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

NameSCHEMBL2520315
Molecular formulaC19H18ClN3O
IUPAC name1-[5-[2-(3-chlorophenyl)ethynyl]pyridin-2-yl]-3,4,4-trimethylimidazolidin-2-one
Molecular weight339.823
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM222766
US9315498, 54
CHEMBL3940876
Inchi KeyAFAFVADNSQWWID-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H18ClN3O/c1-19(2)13-23(18(24)22(19)3)17-10-9-15(12-21-17)8-7-14-5-4-6-16(20)11-14/h4-6,9-12H,13H2,1-3H3
PubChem CID53494026
ChEMBLCHEMBL3940876
IUPHARN/A
BindingDBN/A
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
536022Metabotropic glutamate receptor 5P41594GRM5Homo sapiens (Human)1212

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