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BioLiP

PDB CCD ID: HLR
Number of entries in BioLiP: 11
Chemical formula: C7 H6 N2 O
InChI: InChI=1S/C7H6N2O/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)
InChIKey: NLMVYUBGWZWUGB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1noc2ccccc12
ACDLabs 12.01n2oc1ccccc1c2N
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(no2)N
Name:1,2-benzoxazol-3-amine
ZINC: ZINC000000161908
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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