SEQ2FUN

BioLiP

PDB CCD ID: OA1
Number of entries in BioLiP: 2
Chemical formula: C10 H7 Br N2 O2
InChI: InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)9(14)8-5-13-10(12)15-8/h1-5H,(H2,12,13)
InChIKey: YDCMMVTWXORJGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(c1cccc(Br)c1)c2oc(nc2)N
CACTVS 3.352Nc1oc(cn1)C(=O)c2cccc(Br)c2
OpenEye OEToolkits 1.6.1c1cc(cc(c1)Br)C(=O)c2cnc(o2)N
Name:(2-AMINO-1,3-OXAZOL-5-YL)-(3-BROMOPHENYL)METHANONE
ChEMBL: CHEMBL1234904
DrugBank: DB08314
ZINC: ZINC000053683069
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).