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BioLiP

PDB CCD ID: WMY
Number of entries in BioLiP: 1
Chemical formula: C10 H7 Cl N2 O2
InChI: InChI=1S/C10H7ClN2O2/c11-8-3-1-2-7(6-8)10(14)12-9-4-5-15-13-9/h1-6H,(H,12,13,14)
InChIKey: YMDSPAORQHWBQI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cccc(c1)C(=O)Nc2ccon2
OpenEye OEToolkits 2.0.7c1cc(cc(c1)Cl)C(=O)Nc2ccon2
ACDLabs 12.01c1onc(c1)NC(c2cccc(c2)Cl)=O
Name:3-chloro-N-(1,2-oxazol-3-yl)benzamide
ChEMBL: CHEMBL1478528
ZINC: ZINC000001056321
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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