SEQ2FUN

BioLiP

PDB CCD ID: N4R
Number of entries in BioLiP: 5
Chemical formula: C19 H23 N3 O3
InChI: InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)
InChIKey: JZWXMCPARMXZQV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc2ccccc2
Name:NEXTURASTAT A
ChEMBL: CHEMBL2179618
ZINC: ZINC000095573398
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).