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BioLiP

PDB CCD ID: 5SB
Number of entries in BioLiP: 1
Chemical formula: C14 H12 N4 O
InChI: InChI=1S/C14H12N4O/c1-9(19)18-13-5-4-11(10-7-16-17-8-10)12-3-2-6-15-14(12)13/h2-8H,1H3,(H,16,17)(H,18,19)
InChIKey: QUBRUQFHLRIPBK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)Nc1ccc(c2c[nH]nc2)c3cccnc13
OpenEye OEToolkits 2.0.4CC(=O)Nc1ccc(c2c1nccc2)c3c[nH]nc3
Name:~{N}-[5-(1~{H}-pyrazol-4-yl)quinolin-8-yl]ethanamide
ZINC: ZINC000032541482
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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