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BioLiP Library

PDB CCD ID: B0Q
Number of entries in BioLiP: 5
Chemical formula: C18 H16 N6 O
InChI: InChI=1S/C18H16N6O/c1-23-16-11-14(7-8-15(16)21-22-23)20-18(25)17-19-9-10-24(17)12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,20,25)
InChIKey: KXKQPHQDIFTLEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1nnc2ccc(NC(=O)c3nccn3Cc4ccccc4)cc12
OpenEye OEToolkits 2.0.6Cn1c2cc(ccc2nn1)NC(=O)c3nccn3Cc4ccccc4
Name:~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide
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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