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BioLiP

PDB CCD ID: HPQ
Number of entries in BioLiP: 0
Chemical formula: C11 H15 N O
InChI: InChI=1S/C11H15NO/c1-9(13)11(12)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8,12H2,1H3/t11-/m0/s1
InChIKey: ZDTWNRLBYDWRII-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)C(CCc1ccccc1)N
CACTVS 3.341CC(=O)[C@@H](N)CCc1ccccc1
OpenEye OEToolkits 1.5.0CC(=O)[C@H](CCc1ccccc1)N
CACTVS 3.341CC(=O)[CH](N)CCc1ccccc1
ACDLabs 10.04O=C(C(N)CCc1ccccc1)C
Name:HOMOPHENYLALANINYLMETHANE
DrugBank: DB07913
ZINC: ZINC000044460088
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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