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BioLiP

PDB CCD ID: N1K
Number of entries in BioLiP: 2
Chemical formula: C15 H19 N7 O
InChI: InChI=1S/C15H19N7O/c1-3-4-5-9-22-10-7-11-12(6-8-16-13(11)22)14(23)17-15-18-19-20-21(15)2/h6-8,10H,3-5,9H2,1-2H3,(H,17,18,20,23)
InChIKey: RKQQAUKWARWVAN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCn1ccc2c(ccnc12)C(=O)Nc3nnnn3C
OpenEye OEToolkits 2.0.7CCCCCn1ccc2c1nccc2C(=O)Nc3nnnn3C
Name:N-(1-methyl-1,2,3,4-tetrazol-5-yl)-1-pentyl-pyrrolo[2,3-b]pyridine-4-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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