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BioLiP

PDB CCD ID: PH8
Number of entries in BioLiP: 0
Chemical formula: C11 H15 N O2
InChI: InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m0/s1
InChIKey: XOQZTHUXZWQXOK-JTQLQIEISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCCC(C(=O)O)N
CACTVS 3.385N[CH](CCCc1ccccc1)C(O)=O
CACTVS 3.385N[C@@H](CCCc1ccccc1)C(O)=O
ACDLabs 12.01C(O)(=O)C(N)CCCc1ccccc1
Name:5-phenyl-L-norvaline
ChEMBL: CHEMBL4071657
ZINC: ZINC000001570983
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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