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BioLiP

PDB CCD ID: 5M1
Number of entries in BioLiP: 0
Chemical formula: C6 H7 N O2
InChI: InChI=1S/C6H7NO2/c1-4-2-3-5(7-4)6(8)9/h2-3,7H,1H3,(H,8,9)
InChIKey: UFYABCWJPZTWHA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1[nH]c(cc1)C(O)=O
ACDLabs 12.01C(c1ccc(C)n1)(=O)O
OpenEye OEToolkits 1.7.6Cc1ccc([nH]1)C(=O)O
Name:5-methyl-1H-pyrrole-2-carboxylic acid
ZINC: ZINC000026506991
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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