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BioLiP

PDB CCD ID: TEF
Number of entries in BioLiP: 2
Chemical formula: C10 H11 N5 O2
InChI: InChI=1S/C10H11N5O2/c11-9(10(16)17)5-7-1-3-8(4-2-7)15-13-6-12-14-15/h1-4,6,9H,5,11H2,(H,16,17)/t9-/m0/s1
InChIKey: KHTQUIIGXJUWFB-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[CH](Cc1ccc(cc1)n2ncnn2)C(O)=O
ACDLabs 12.01O=C(O)C(N)Cc1ccc(cc1)n2ncnn2
OpenEye OEToolkits 1.7.0c1cc(ccc1CC(C(=O)O)N)n2ncnn2
CACTVS 3.370N[C@@H](Cc1ccc(cc1)n2ncnn2)C(O)=O
OpenEye OEToolkits 1.7.0c1cc(ccc1C[C@@H](C(=O)O)N)n2ncnn2
Name:4-(2H-tetrazol-2-yl)-L-phenylalanine;
p-(2-tetrazolyl)-phenylalanine
ZINC: ZINC000058638473
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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