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BioLiP Library

PDB CCD ID: W1N
Number of entries in BioLiP: 4
Chemical formula: C10 H12 F N O2
InChI: InChI=1S/C10H12FNO2/c11-9-4-2-1-3-7(9)5-8(12)6-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1
InChIKey: CTZJKXPNBFSWAK-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Fc1ccccc1CC(N)CC(=O)O
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CC(CC(=O)O)N)F
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C[C@@H](CC(=O)O)N)F
CACTVS 3.385N[CH](CC(O)=O)Cc1ccccc1F
CACTVS 3.385N[C@H](CC(O)=O)Cc1ccccc1F
Name:(3S)-3-amino-4-(2-fluorophenyl)butanoic acid
ZINC: ZINC000002385923
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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