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BioLiP Library

PDB CCD ID: 3FB
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N O2
InChI: InChI=1S/C10H13NO2/c11-9(7-10(12)13)6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKey: OFVBLKINTLPEGH-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](CC(O)=O)Cc1ccccc1
CACTVS 3.370N[C@H](CC(O)=O)Cc1ccccc1
OpenEye OEToolkits 1.7.2c1ccc(cc1)CC(CC(=O)O)N
OpenEye OEToolkits 1.7.2c1ccc(cc1)C[C@@H](CC(=O)O)N
ACDLabs 12.01O=C(O)CC(N)Cc1ccccc1
Name:(3S)-3-AMINO-4-PHENYLBUTANOIC ACID
ZINC: ZINC000002386836
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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