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BioLiP

PDB CCD ID: QVL
Number of entries in BioLiP: 2
Chemical formula: C11 H11 N7 O
InChI: InChI=1S/C11H11N7O/c1-6-4-12-9-8(6)3-7(5-13-9)10(19)18(2)11-14-16-17-15-11/h3-5H,1-2H3,(H,12,13)(H,14,15,16,17)
InChIKey: CHQWAWHCQBTQEW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN(C(=O)c1cnc2[nH]cc(C)c2c1)c3[nH]nnn3
OpenEye OEToolkits 2.0.7Cc1c[nH]c2c1cc(cn2)C(=O)N(C)c3[nH]nnn3
ACDLabs 12.01O=C(N(C)c1nnn[NH]1)c1cc2c(C)c[NH]c2nc1
Name:N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-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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