SEQ2FUN

BioLiP

PDB CCD ID: 7BD
Number of entries in BioLiP: 3
Chemical formula: C16 H13 N O3
InChI: InChI=1S/C16H13NO3/c18-15(19)9-10-20-17-16-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16/h1-8H,9-10H2,(H,18,19)
InChIKey: LASWLEUVWJDDBA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)-c3ccccc3C2=NOCCC(=O)O
CACTVS 3.341OC(=O)CCON=C1c2ccccc2c3ccccc13
ACDLabs 10.04O=C(O)CCO\N=C3\c1ccccc1c2c3cccc2
Name:3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid;
3-(9H-fluoren-9-ylideneaminooxy)propanoic acid
ChEMBL: CHEMBL33468
DrugBank: DB07240
ZINC: ZINC000029219892
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).