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BioLiP

PDB CCD ID: A1D5H
Number of entries in BioLiP: 5
Chemical formula: C11 H16 N2 O3
InChI: InChI=1S/C11H16N2O3/c12-9-3-5-10(6-4-9)13-11(15)16-8-2-1-7-14/h3-6,14H,1-2,7-8,12H2,(H,13,15)
InChIKey: UEFKPOWGEZOFJI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1N)NC(=O)OCCCCO
CACTVS 3.385Nc1ccc(NC(=O)OCCCCO)cc1
Name:4-oxidanylbutyl ~{N}-(4-aminophenyl)carbamate
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).
  • 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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