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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

NameCHEMBL2023628
Molecular formulaC17H12N4
IUPAC name4-(1-phenylpyrazol-4-yl)quinazoline
Molecular weight272.311
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50381806
Inchi KeyAXUNPUYTLRASPK-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H12N4/c1-2-6-14(7-3-1)21-11-13(10-20-21)17-15-8-4-5-9-16(15)18-12-19-17/h1-12H
PubChem CID70691971
ChEMBLCHEMBL2023628
IUPHARN/A
BindingDB50381806
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
17083Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912

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