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BioLiP

PDB CCD ID: U1Z
Number of entries in BioLiP: 1
Chemical formula: C20 H19 N7
InChI: InChI=1S/C20H19N7/c1-25-12-16(10-23-25)7-8-27-14-22-19(18-11-24-26(2)13-18)20(27)17-5-3-15(9-21)4-6-17/h3-6,10-14H,7-8H2,1-2H3
InChIKey: RRZVGDGTWNQAPW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc(CCn2cnc(c3cnn(C)c3)c2c4ccc(cc4)C#N)cn1
OpenEye OEToolkits 2.0.7Cn1cc(cn1)CCn2cnc(c2c3ccc(cc3)C#N)c4cnn(c4)C
Name:4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzenecarbonitrile;
BAZ2-ICR
ChEMBL: CHEMBL4296718
ZINC: ZINC000226098129
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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