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BioLiP

PDB CCD ID: HKC
Number of entries in BioLiP: 1
Chemical formula: C19 H16 N6 O2
InChI: InChI=1S/C19H16N6O2/c1-26-15-8-12-7-14-17(20-21-18(14)13(12)9-16(15)27-2)10-3-5-11(6-4-10)19-22-24-25-23-19/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,22,23,24,25)
InChIKey: NDAAHSGATZAMOW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6COc1cc2c(cc1OC)-c3c(c(n[nH]3)c4ccc(cc4)c5[nH]nnn5)C2
ACDLabs 12.01n1nnnc1c5ccc(c4nnc3c2cc(OC)c(OC)cc2Cc34)cc5
CACTVS 3.370COc1cc2Cc3c([nH]nc3c4ccc(cc4)c5[nH]nnn5)c2cc1OC
Name:6,7-dimethoxy-3-[4-(1H-tetrazol-5-yl)phenyl]-1,4-dihydroindeno[1,2-c]pyrazole
ChEMBL: CHEMBL245605
ZINC: ZINC000028954373
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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