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BioLiP

PDB CCD ID: OH5
Number of entries in BioLiP: 1
Chemical formula: C12 H17 N O2
InChI: InChI=1S/C12H17NO2/c1-9(12(14)15)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)/t9-,11+/m0/s1
InChIKey: TVHNWAKCVXFPNB-GXSJLCMTSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(CC(Cc1ccccc1)N)C(=O)O
CACTVS 3.385C[CH](C[CH](N)Cc1ccccc1)C(O)=O
OpenEye OEToolkits 2.0.7C[C@@H](C[C@H](Cc1ccccc1)N)C(=O)O
CACTVS 3.385C[C@@H](C[C@@H](N)Cc1ccccc1)C(O)=O
Name:(2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic 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).
  • 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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