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BioLiP

PDB CCD ID: ZHZ
Number of entries in BioLiP: 2
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
InChIKey: OLKQIWCQICCYQS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1ccc(cc1)CC(=O)N
ACDLabs 10.04O=C(N)Cc1ccc(OC)cc1
CACTVS 3.341COc1ccc(CC(N)=O)cc1
Name:2-(4-METHOXYPHENYL)ACETAMIDE
ChEMBL: CHEMBL157604
DrugBank: DB08767
ZINC: ZINC000000156551
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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