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BioLiP

PDB CCD ID: GF4
Number of entries in BioLiP: 3
Chemical formula: C7 H10 N6 O
InChI: InChI=1S/C7H10N6O/c1-3-5-4(2)10-13(6(5)14)7-8-11-12-9-7/h10H,3H2,1-2H3,(H,8,9,11,12)
InChIKey: WAVWUEFMWJZZFB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCC1=C(C)NN(C1=O)c2[nH]nnn2
ACDLabs 10.04O=C2C(=C(NN2c1nnnn1)C)CC
OpenEye OEToolkits 1.5.0CCC1=C(NN(C1=O)c2[nH]nnn2)C
Name:4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one
ChEMBL: CHEMBL1213368
DrugBank: DB07824
ZINC: ZINC000004784270
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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