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BioLiP Library

PDB CCD ID: A1IJ4
Number of entries in BioLiP: 0
Chemical formula: C12 H18 N2 O3
InChI: InChI=1S/C12H18N2O3/c13-9-10-4-3-5-11(8-10)17-7-2-1-6-14-12(15)16/h3-5,8,14H,1-2,6-7,9,13H2,(H,15,16)
InChIKey: PPXAKERDFHSDMN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCc1cccc(OCCCCNC(O)=O)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)OCCCCNC(=O)O)CN
Name:4-[3-(aminomethyl)phenoxy]butylcarbamic acid
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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