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BioLiP

PDB CCD ID: 35Y
Number of entries in BioLiP: 0
Chemical formula: C5 H8 N6 O3
InChI: InChI=1S/C5H8N6O3/c6-2(5(13)14)1-7-4(12)3-8-10-11-9-3/h2H,1,6H2,(H,7,12)(H,13,14)(H,8,9,10,11)/t2-/m0/s1
InChIKey: ULFSZHXWLBPMTO-REOHCLBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C([C@@H](C(=O)O)N)NC(=O)c1[nH]nnn1
CACTVS 3.370N[CH](CNC(=O)c1[nH]nnn1)C(O)=O
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)NC(=O)c1[nH]nnn1
ACDLabs 12.01O=C(NCC(C(=O)O)N)c1nnnn1
CACTVS 3.370N[C@@H](CNC(=O)c1[nH]nnn1)C(O)=O
Name:3-[(1H-tetrazol-5-ylcarbonyl)amino]-L-alanine
ZINC: ZINC000098208395
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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