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BioLiP

PDB CCD ID: 5MP
Number of entries in BioLiP: 1
Chemical formula: C5 H7 N
InChI: InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3
InChIKey: FEKWWZCCJDUWLY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc[nH]c1
CACTVS 3.341Cc1c[nH]cc1
ACDLabs 10.04c1cc(cn1)C
Name:5-METHYLPYRROLE
ChEMBL: CHEMBL426643
DrugBank: DB01932
ZINC: ZINC000002034399
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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