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BioLiP

PDB CCD ID: T2U
Number of entries in BioLiP: 1
Chemical formula: C7 H4 Cl N O
InChI: InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChIKey: BBVQDWDBTWSGHQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)nc(o2)Cl
CACTVS 3.385Clc1oc2ccccc2n1
ACDLabs 12.01Clc1nc2ccccc2o1
Name:2-chloro-1,3-benzoxazole
ChEMBL: CHEMBL4575218
ZINC: ZINC000000404788
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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