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BioLiP

PDB CCD ID: W1J
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N5 O2
InChI: InChI=1S/C9H11N5O2/c1-2-5-14-12-9(11-13-14)10-8(15)7-4-3-6-16-7/h3-4,6H,2,5H2,1H3,(H,10,12,15)
InChIKey: DFAKOYAKHWMEQD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCn1nc(nn1)NC(=O)c2ccco2
CACTVS 3.385CCCn1nnc(NC(=O)c2occc2)n1
ACDLabs 12.01n2nc(NC(=O)c1ccco1)nn2CCC
Name:N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide
ChEMBL: CHEMBL1443189
ZINC: ZINC000000470792
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)(download the PDF file).
  • 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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