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BioLiP

PDB CCD ID: FPR
Number of entries in BioLiP: 0
Chemical formula: C13 H17 N O3
InChI: InChI=1S/C13H17NO3/c14-11(9-13(16)17)12(15)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,16,17)/t11-/m0/s1
InChIKey: QYEQYTJKGDCZPC-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)CCCC(=O)[C@H](CC(=O)O)N
OpenEye OEToolkits 1.7.0c1ccc(cc1)CCCC(=O)C(CC(=O)O)N
CACTVS 3.370N[CH](CC(O)=O)C(=O)CCCc1ccccc1
CACTVS 3.370N[C@@H](CC(O)=O)C(=O)CCCc1ccccc1
ACDLabs 12.01O=C(O)CC(N)C(=O)CCCc1ccccc1
Name:(3S)-3-amino-4-oxo-7-phenylheptanoic acid
ZINC: ZINC000098208898
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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