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BioLiP

PDB CCD ID: 9DQ
Number of entries in BioLiP: 0
Chemical formula: C4 H7 N5 O2
InChI: InChI=1S/C4H7N5O2/c5-2(4(10)11)1-3-6-8-9-7-3/h2H,1,5H2,(H,10,11)(H,6,7,8,9)/t2-/m0/s1
InChIKey: UHDMAEPGMOIEHH-REOHCLBHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](Cc1[nH]nnn1)C(O)=O
CACTVS 3.385N[C@@H](Cc1[nH]nnn1)C(O)=O
OpenEye OEToolkits 2.0.6C(c1[nH]nnn1)[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.6C(c1[nH]nnn1)C(C(=O)O)N
Name:(2~{S})-2-azanyl-3-(1~{H}-1,2,3,4-tetrazol-5-yl)propanoic acid
ChEMBL: CHEMBL357426
ZINC: ZINC000005502359
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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