SEQ2FUN

BioLiP

PDB CCD ID: VZU
Number of entries in BioLiP: 1
Chemical formula: C10 H14 N2 O2
InChI: InChI=1S/C10H14N2O2/c1-3-14-10(13)12(2)9-6-4-8(11)5-7-9/h4-7H,3,11H2,1-2H3
InChIKey: LEIXYDVFMCKKLG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOC(=O)N(C)c1ccc(cc1)N
ACDLabs 12.01Nc1ccc(cc1)N(C)C(=O)OCC
CACTVS 3.385CCOC(=O)N(C)c1ccc(N)cc1
Name:ethyl (4-aminophenyl)methylcarbamate
ZINC: ZINC000020374335
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).