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BioLiP

PDB CCD ID: JHY
Number of entries in BioLiP: 6
Chemical formula: C10 H7 Cl2 N O4
InChI: InChI=1S/C10H7Cl2NO4/c11-5-3-7-8(4-6(5)12)17-10(16)13(7)2-1-9(14)15/h3-4H,1-2H2,(H,14,15)
InChIKey: MIGAKMWKMLYGJX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c2c(cc(c1Cl)Cl)OC(=O)N2CCC(=O)O
CACTVS 3.385OC(=O)CCN1C(=O)Oc2cc(Cl)c(Cl)cc12
Name:3-(5,6-DICHLORO-2-OXOBENZO[D]OXAZOL-3(2H)-YL)PROPANOIC ACID
ChEMBL: CHEMBL4092205
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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