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BioLiP

PDB CCD ID: A1AMM
Number of entries in BioLiP: 0
Chemical formula: C16 H17 N O2
InChI: InChI=1S/C16H17NO2/c17-15(16(18)19)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,15H,10-11,17H2,(H,18,19)/t15-/m0/s1
InChIKey: FLAYVDDDWHBOIP-HNNXBMFYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cc2ccc(cc2)CC(C(=O)O)N
CACTVS 3.385N[C@@H](Cc1ccc(Cc2ccccc2)cc1)C(O)=O
OpenEye OEToolkits 2.0.7c1ccc(cc1)Cc2ccc(cc2)C[C@@H](C(=O)O)N
ACDLabs 12.01NC(Cc1ccc(cc1)Cc1ccccc1)C(=O)O
CACTVS 3.385N[CH](Cc1ccc(Cc2ccccc2)cc1)C(O)=O
Name:4-benzyl-L-phenylalanine
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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