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BioLiP

PDB CCD ID: N1G
Number of entries in BioLiP: 2
Chemical formula: C17 H13 N7 O
InChI: InChI=1S/C17H13N7O/c25-16(18-17-19-22-23-20-17)14-11-15(12-7-3-1-4-8-12)24(21-14)13-9-5-2-6-10-13/h1-11H,(H2,18,19,20,22,23,25)
InChIKey: QVLVNOAMAMUIJM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(Nc1nnnn1)(c4cc(c2ccccc2)n(c3ccccc3)n4)=O
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2cc(nn2c3ccccc3)C(=O)Nc4[nH]nnn4
CACTVS 3.385O=C(Nc1[nH]nnn1)c2cc(n(n2)c3ccccc3)c4ccccc4
Name:1,5-diphenyl-N-(1H-tetrazol-5-yl)-1H-pyrazole-3-carboxamide
ChEMBL: CHEMBL5171499
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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