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BioLiP

PDB CCD ID: 1VG
Number of entries in BioLiP: 2
Chemical formula: C16 H10 N4 O2
InChI: InChI=1S/C16H10N4O2/c21-13-9-15(22-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16-17-19-20-18-16/h1-9H,(H,17,18,19,20)
InChIKey: CDSSKRNFCDQPBZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)C(=O)C=C(O2)c3ccc(cc3)c4[nH]nnn4
CACTVS 3.370O=C1C=C(Oc2ccccc12)c3ccc(cc3)c4[nH]nnn4
ACDLabs 12.01O=C1c4c(OC(=C1)c3ccc(c2nnnn2)cc3)cccc4
Name:2-[4-(1H-tetrazol-5-yl)phenyl]-4H-chromen-4-one
ChEMBL: CHEMBL2431804
ZINC: ZINC000044602347
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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