SEQ2FUN

BioLiP

PDB CCD ID: A1L52
Number of entries in BioLiP: 4
Chemical formula: C20 H18 N2 O2
InChI: InChI=1S/C20H18N2O2/c1-3-22(4-2)13-9-10-16-18(11-13)24-19-12-17(23)14-7-5-6-8-15(14)20(19)21-16/h5-12H,3-4H2,1-2H3
InChIKey: VOFUROIFQGPCGE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCN(CC)c1ccc2c(c1)OC3=CC(=O)c4ccccc4C3=N2
CACTVS 3.385CCN(CC)c1ccc2N=C3C(=CC(=O)c4ccccc34)Oc2c1
Name:Nile Red;
9-(diethylamino)benzo[a]phenoxazin-5-one;
Nile Blue A Oxazone
ChEMBL: CHEMBL144472
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).