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BioLiP Library

PDB CCD ID: W1M
Number of entries in BioLiP: 1
Chemical formula: C12 H11 N3 O3
InChI: InChI=1S/C12H11N3O3/c1-15-6-5-10(14-15)11(16)13-9-4-2-3-8(7-9)12(17)18/h2-7H,1H3,(H,13,16)(H,17,18)
InChIKey: CGFLTCVMZJDNKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cn1ccc(n1)C(=O)Nc2cccc(c2)C(=O)O
CACTVS 3.385Cn1ccc(n1)C(=O)Nc2cccc(c2)C(O)=O
ACDLabs 12.01n2c(C(=O)Nc1cc(ccc1)C(=O)O)ccn2C
Name:3-[(1-methyl-1H-pyrazole-3-carbonyl)amino]benzoic acid
ZINC: ZINC000000136098
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)(download the PDF file).
  • 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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