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BioLiP

PDB CCD ID: XRQ
Number of entries in BioLiP: 1
Chemical formula: C22 H16 N4 O3
InChI: InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-21-15-20(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15H,(H,23,27)
InChIKey: KIALCSMRIHRFPL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2cc(n(n2)c3ccccc3)NC(=O)c4ccc(cc4)N(=O)=O
CACTVS 3.385O=C(Nc1cc(nn1c2ccccc2)c3ccccc3)c4ccc(cc4)[N](=O)=O
Name:VU29;
N-(1,3-Diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide;
~{N}-(2,5-diphenylpyrazol-3-yl)-4-nitro-benzamide
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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