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BioLiP Library

PDB CCD ID: DFF
Number of entries in BioLiP: 0
Chemical formula: C16 H15 N O3
InChI: InChI=1S/C16H15NO3/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12/h1-9,14H,10,17H2,(H,19,20)/t14-/m1/s1
InChIKey: TVIDEEHSOPHZBR-CQSZACIVSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(=O)c2ccc(cc2)CC(C(=O)O)N
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(=O)c2ccc(cc2)C[C@H](C(=O)O)N
CACTVS 3.385N[CH](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)=O
CACTVS 3.385N[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)=O
Name:4-benzoyl-D-phenylalanine
ZINC: ZINC000002561081
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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