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BioLiP

PDB CCD ID: YIK
Number of entries in BioLiP: 1
Chemical formula: C18 H14 N6 O2
InChI: InChI=1S/C18H14N6O2/c25-18(10-4-5-10)19-13-3-1-2-11(8-13)16-14-9-12(17-20-23-24-21-17)6-7-15(14)22-26-16/h1-3,6-10H,4-5H2,(H,19,25)(H,20,21,23,24)
InChIKey: ZDYGRDMSDBGSHI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)NC(=O)C2CC2)c3c4cc(ccc4no3)c5n[nH]nn5
ACDLabs 12.01O=C(Nc1cccc(c1)c1onc2ccc(cc12)c1n[NH]nn1)C1CC1
CACTVS 3.385O=C(Nc1cccc(c1)c2onc3ccc(cc23)c4n[nH]nn4)C5CC5
Name:N-{(3P)-3-[(5P)-5-(2H-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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