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BioLiP

PDB CCD ID: 9IJ
Number of entries in BioLiP: 0
Chemical formula: C10 H10 N2 O2
InChI: InChI=1S/C10H10N2O2/c11-6-8-4-2-1-3-7(8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1
InChIKey: OCDHPLVCNWBKJN-VIFPVBQESA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NC(Cc1ccccc1C#N)C(=O)O
OpenEye OEToolkits 2.0.7c1ccc(c(c1)C[C@@H](C(=O)O)N)C#N
CACTVS 3.385N[CH](Cc1ccccc1C#N)C(O)=O
CACTVS 3.385N[C@@H](Cc1ccccc1C#N)C(O)=O
OpenEye OEToolkits 2.0.7c1ccc(c(c1)CC(C(=O)O)N)C#N
Name:2-cyano-L-phenylalanine
ZINC: ZINC000002385773
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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