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BioLiP

PDB CCD ID: 2GX
Number of entries in BioLiP: 0
Chemical formula: C15 H15 N O2
InChI: InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m0/s1
InChIKey: PECGVEGMRUZOML-AWEZNQCLSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[C@@H](C(c1ccccc1)c2ccccc2)C(O)=O
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(c2ccccc2)C(C(=O)O)N
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(c2ccccc2)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](C(c1ccccc1)c2ccccc2)C(O)=O
ACDLabs 12.01O=C(O)C(N)C(c1ccccc1)c2ccccc2
Name:beta-phenyl-L-phenylalanine
ZINC: ZINC000016081610
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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