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BioLiP

PDB CCD ID: 0J6
Number of entries in BioLiP: 3
Chemical formula: C15 H11 N7 O
InChI: InChI=1S/C15H11N7O/c23-15(10-4-5-13-11(6-10)8-16-18-13)17-12-3-1-2-9(7-12)14-19-21-22-20-14/h1-8H,(H,16,18)(H,17,23)(H,19,20,21,22)
InChIKey: UWMWXBXKWPTZOO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cc(c1)NC(=O)c2ccc3c(c2)c[nH]n3)c4[nH]nnn4
ACDLabs 12.01O=C(c2ccc1nncc1c2)Nc3cccc(c3)c4nnnn4
CACTVS 3.370O=C(Nc1cccc(c1)c2[nH]nnn2)c3ccc4n[nH]cc4c3
Name:N-[3-(1H-tetrazol-5-yl)phenyl]-2H-indazole-5-carboxamide
ChEMBL: CHEMBL2031558
ZINC: ZINC000084670697
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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