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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 SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

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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

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Ligand

NameCHEMBL379438
Molecular formulaC16H11N3O5
IUPAC name3-anilino-4-(2-hydroxy-4-nitroanilino)cyclobut-3-ene-1,2-dione
Molecular weight325.28
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.5
SynonymsBDBM50187001
3-(2-hydroxy-4-nitrophenylamino)-4-(phenylamino)cyclobut-3-ene-1,2-dione
SCHEMBL6104749
Inchi KeyBGXSRDRXCPKCLB-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H11N3O5/c20-12-8-10(19(23)24)6-7-11(12)18-14-13(15(21)16(14)22)17-9-4-2-1-3-5-9/h1-8,17-18,20H
PubChem CID9880342
ChEMBLN/A
IUPHARN/A
BindingDB50187001
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
23507C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

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