SEQ2FUN

BioLiP

PDB CCD ID: 36R
Number of entries in BioLiP: 1
Chemical formula: C7 H5 Cl N2 O
InChI: InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)
InChIKey: YGCODSQDUUUKIV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Clc1cc2nc(oc2cc1)N
OpenEye OEToolkits 1.7.6c1cc2c(cc1Cl)nc(o2)N
CACTVS 3.385Nc1oc2ccc(Cl)cc2n1
Name:5-chloro-1,3-benzoxazol-2-amine
ChEMBL: CHEMBL472566
ZINC: ZINC000008614810
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).