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BioLiP

PDB CCD ID: YJQ
Number of entries in BioLiP: 1
Chemical formula: C18 H14 N6 O2
InChI: InChI=1S/C18H14N6O2/c25-18(11-1-2-11)19-13-6-3-10(4-7-13)16-14-9-12(17-20-23-24-21-17)5-8-15(14)22-26-16/h3-9,11H,1-2H2,(H,19,25)(H,20,21,23,24)
InChIKey: AXQAWOHSTLOJBL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1c2c3cc(ccc3no2)c4[nH]nnn4)NC(=O)C5CC5
CACTVS 3.385O=C(Nc1ccc(cc1)c2onc3ccc(cc23)c4[nH]nnn4)C5CC5
ACDLabs 12.01O=C(Nc1ccc(cc1)c1onc2ccc(cc12)c1nnn[NH]1)C1CC1
Name:N-{4-[(5P)-5-(1H-tetrazol-5-yl)-2,1-benzoxazol-3-yl]phenyl}cyclopropanecarboxamide
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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