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BioLiP Library

PDB CCD ID: PZ8
Number of entries in BioLiP: 1
Chemical formula: C13 H12 Cl N O2
InChI: InChI=1S/C13H12ClNO2/c1-8-6-12(13(16)17)9(2)15(8)11-5-3-4-10(14)7-11/h3-7H,1-2H3,(H,16,17)
InChIKey: SNPBYQCWMKALIT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(C(O)=O)c(C)n1c2cccc(Cl)c2
OpenEye OEToolkits 2.0.7Cc1cc(c(n1c2cccc(c2)Cl)C)C(=O)O
Name:1-(3-chlorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
ChEMBL: CHEMBL4645532
ZINC: ZINC000019949328
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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