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BioLiP Library

PDB CCD ID: GB5
Number of entries in BioLiP: 2
Chemical formula: C9 H8 Cl N O2
InChI: InChI=1S/C9H8ClNO2/c10-8-4-1-7(2-5-8)3-6-9(12)11-13/h1-6,13H,(H,11,12)/b6-3+
InChIKey: YPYUWBDOEMPXSK-ZZXKWVIFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=CC(=O)NO)Cl
OpenEye OEToolkits 1.5.0c1cc(ccc1\C=C\C(=O)NO)Cl
CACTVS 3.341ONC(=O)\C=C\c1ccc(Cl)cc1
ACDLabs 10.04Clc1ccc(/C=C/C(=O)NO)cc1
CACTVS 3.341ONC(=O)C=Cc1ccc(Cl)cc1
Name:(2E)-3-(4-CHLOROPHENYL)-N-HYDROXYACRYLAMIDE;
4-CHLOROCINNAMYLHYDROXAMATE
ChEMBL: CHEMBL1232971
DrugBank: DB07819
ZINC: ZINC000012583773
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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