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BioLiP

PDB CCD ID: 73O
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N O3
InChI: InChI=1S/C10H13NO3/c11-9(10(13)14)6-3-7-1-4-8(12)5-2-7/h1-2,4-5,9,12H,3,6,11H2,(H,13,14)/t9-/m0/s1
InChIKey: LOOZZTFGSTZNRX-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5c1cc(ccc1CCC(C(=O)O)N)O
CACTVS 3.385N[CH](CCc1ccc(O)cc1)C(O)=O
OpenEye OEToolkits 2.0.5c1cc(ccc1CC[C@@H](C(=O)O)N)O
CACTVS 3.385N[C@@H](CCc1ccc(O)cc1)C(O)=O
Name:(2~{S})-2-azanyl-4-(4-hydroxyphenyl)butanoic acid
ZINC: ZINC000002572524
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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