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BioLiP Library

PDB CCD ID: 8BH
Number of entries in BioLiP: 4
Chemical formula: C15 H10 N6
InChI: InChI=1S/C15H10N6/c16-6-9(14-12(7-17)15(18)21-20-14)5-10-8-19-13-4-2-1-3-11(10)13/h1-5,8,19H,(H3,18,20,21)/b9-5+
InChIKey: OJMXHLJIMZMFGX-WEVVVXLNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c[nH]2)/C=C(\C#N)/c3c(c([nH]n3)N)C#N
CACTVS 3.385Nc1[nH]nc(C(=Cc2c[nH]c3ccccc23)C#N)c1C#N
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(c[nH]2)C=C(C#N)c3c(c([nH]n3)N)C#N
CACTVS 3.385Nc1[nH]nc(C(=C/c2c[nH]c3ccccc23)/C#N)c1C#N
Name:5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile;
Tyrphostin AG 1112
ChEMBL: CHEMBL65827
ZINC: ZINC000012352657
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)(download the PDF file).
  • 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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