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BioLiP

PDB CCD ID: V3E
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N O3
InChI: InChI=1S/C10H13NO3/c1-14-10(13)8(11)6-7-4-2-3-5-9(7)12/h2-5,8,12H,6,11H2,1H3/t8-/m0/s1
InChIKey: RFUHEJIZWPQATB-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COC(=O)[C@H](Cc1ccccc1O)N
CACTVS 3.385COC(=O)[CH](N)Cc1ccccc1O
OpenEye OEToolkits 2.0.7COC(=O)C(Cc1ccccc1O)N
CACTVS 3.385COC(=O)[C@@H](N)Cc1ccccc1O
Name:methyl (2~{S})-2-azanyl-3-(2-hydroxyphenyl)propanoate
ZINC: ZINC000013354200
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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