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BioLiP

PDB CCD ID: 22P
Number of entries in BioLiP: 0
Chemical formula: C11 H15 N O3
InChI: InChI=1S/C11H15NO3/c12-8-11(15,10(13)14)7-6-9-4-2-1-3-5-9/h1-5,15H,6-8,12H2,(H,13,14)/t11-/m1/s1
InChIKey: IUOCOUFAWITNIG-LLVKDONJSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370NC[C@](O)(CCc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)CCC(CN)(C(=O)O)O
CACTVS 3.370NC[C](O)(CCc1ccccc1)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC[C@@](CN)(C(=O)O)O
ACDLabs 12.01O=C(O)C(O)(CCc1ccccc1)CN
Name:(2R)-2-(aminomethyl)-2-hydroxy-4-phenylbutanoic acid
ZINC: ZINC000098208085
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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