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BioLiP

PDB CCD ID: JF8
Number of entries in BioLiP: 2
Chemical formula: C12 H9 N5
InChI: InChI=1S/C12H9N5/c13-6-9-11(16-17-12(9)14)8-2-1-7-3-4-15-10(7)5-8/h1-5,15H,(H3,14,16,17)
InChIKey: ALVYLOVBZSBJDI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1[nH]nc(c2ccc3cc[nH]c3c2)c1C#N
OpenEye OEToolkits 2.0.7c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N
Name:5-azanyl-3-(1~{H}-indol-6-yl)-1~{H}-pyrazole-4-carbonitrile
ChEMBL: CHEMBL4548872
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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