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BioLiP Library

PDB CCD ID: BVK
Number of entries in BioLiP: 0
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c10-6-8-3-1-7(2-4-8)5-9(11)12/h1-4H,5-6,10H2,(H,11,12)
InChIKey: HAAUVXXFRQXTTQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCc1ccc(CC(O)=O)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1CC(=O)O)CN
Name:2-[4-(aminomethyl)phenyl]ethanoic acid
ZINC: ZINC000004202809
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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