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BioLiP Library

PDB CCD ID: 8D6
Number of entries in BioLiP: 1
Chemical formula: C10 H8 Cl N3 O
InChI: InChI=1S/C10H8ClN3O/c11-8-7(5-14-9(8)10(12)15)6-1-3-13-4-2-6/h1-5,14H,(H2,12,15)
InChIKey: PGLBZRZEQTVNDN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)c1[nH]cc(c1Cl)c2ccncc2
OpenEye OEToolkits 2.0.6c1cnccc1c2c[nH]c(c2Cl)C(=O)N
Name:3-chloranyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide
ChEMBL: CHEMBL4072496
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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