SEQ2FUN

BioLiP

PDB CCD ID: 5MZ
Number of entries in BioLiP: 1
Chemical formula: C9 H8 Cl N3 O
InChI: InChI=1S/C9H8ClN3O/c10-5-8-12-9(13-14-8)6-2-1-3-7(11)4-6/h1-4H,5,11H2
InChIKey: AHCZAZOXRKPNHL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(cc(c1)N)c2nc(on2)CCl
CACTVS 3.370Nc1cccc(c1)c2noc(CCl)n2
ACDLabs 12.01ClCc1nc(no1)c2cc(ccc2)N
Name:3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]aniline
ZINC: ZINC000012649233
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).