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BioLiP Library

PDB CCD ID: UFS
Number of entries in BioLiP: 1
Chemical formula: C27 H31 N3 O5
InChI: InChI=1S/C27H31N3O5/c1-2-3-6-9-24(31)28-22-16-12-20(13-17-22)27(34)21-14-18-23(19-15-21)29-25(32)10-7-4-5-8-11-26(33)30-35/h1,12-19,35H,3-11H2,(H,28,31)(H,29,32)(H,30,33)
InChIKey: VHTATGLVGGHVIS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C#CCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(cc2)NC(=O)CCCCCCC(=O)NO
ACDLabs 12.01c1cc(NC(CCCCCCC(NO)=O)=O)ccc1C(c2ccc(cc2)NC(CCCC#C)=O)=O
CACTVS 3.385ONC(=O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(NC(=O)CCCC#C)cc2
Name:N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide
ZINC: ZINC000071746269
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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