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BioLiP

PDB CCD ID: A1H9M
Number of entries in BioLiP: 1
Chemical formula: C16 H15 N3 O
InChI: InChI=1S/C16H15N3O/c1-2-16(20)18-14-6-3-11(4-7-14)12-5-8-15-13(9-12)10-17-19-15/h3-10H,2H2,1H3,(H,17,19)(H,18,20)
InChIKey: RLWMPXUGNDBLGJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC(=O)Nc1ccc(cc1)c2ccc3[nH]ncc3c2
OpenEye OEToolkits 2.0.7CCC(=O)Nc1ccc(cc1)c2ccc3c(c2)cn[nH]3
Name:N-[4-(1H-indazol-5-yl)phenyl]propanamide;
N-[4-(1H-indazol-5-yl)phenyl]prop-2-enamide (covalently bound)
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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