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BioLiP

PDB CCD ID: A1AWS
Number of entries in BioLiP: 0
Chemical formula: C12 H11 N3 O2
InChI: InChI=1S/C12H11N3O2/c13-5-7-2-1-3-10-11(7)8(6-15-10)4-9(14)12(16)17/h1-3,6,9,15H,4,14H2,(H,16,17)/t9-/m0/s1
InChIKey: UOPSYGYZOBPCLD-VIFPVBQESA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)Cc1c[NH]c2cccc(C#N)c21
CACTVS 3.385N[CH](Cc1c[nH]c2cccc(C#N)c12)C(O)=O
CACTVS 3.385N[C@@H](Cc1c[nH]c2cccc(C#N)c12)C(O)=O
OpenEye OEToolkits 2.0.7c1cc(c2c(c1)[nH]cc2C[C@@H](C(=O)O)N)C#N
OpenEye OEToolkits 2.0.7c1cc(c2c(c1)[nH]cc2CC(C(=O)O)N)C#N
Name:4-cyano-L-tryptophan
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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