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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

BioLiP

PDB CCD ID: I15
Number of entries in BioLiP: 2
Chemical formula: C16 H9 F N4 O
InChI: InChI=1S/C16H9FN4O/c1-9-15-14(21-20-9)3-2-13(17)16(15)22-12-5-10(7-18)4-11(6-12)8-19/h2-6H,1H3,(H,20,21)
InChIKey: JYAHFMKZJRVTDT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1c2c(ccc(c2Oc3cc(cc(c3)C#N)C#N)F)[nH]n1
ACDLabs 10.04N#Cc3cc(Oc1c(F)ccc2c1c(nn2)C)cc(C#N)c3
CACTVS 3.341Cc1n[nH]c2ccc(F)c(Oc3cc(cc(c3)C#N)C#N)c12
Name:5-[(5-fluoro-3-methyl-1H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
ChEMBL: CHEMBL473119
DrugBank: DB07935
ZINC: ZINC000040915356

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).
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