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BioLiP

PDB CCD ID: A1D6P
Number of entries in BioLiP: 6
Chemical formula: C19 H17 Cl N6 O2
InChI: InChI=1S/C19H17ClN6O2/c1-13-4-3-5-17(26-19(27)24(2)22-23-26)16(13)12-28-18-10-11-25(21-18)15-8-6-14(20)7-9-15/h3-11H,12H2,1-2H3
InChIKey: XUQQRGKFXLAPNV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1N=NN(C1=O)c2cccc(C)c2COc3ccn(n3)c4ccc(Cl)cc4
OpenEye OEToolkits 2.0.7Cc1cccc(c1COc2ccn(n2)c3ccc(cc3)Cl)N4C(=O)N(N=N4)C
Name:1-[2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]-3-methyl-phenyl]-4-methyl-1,2,3,4-tetrazol-5-one;
Metyltetraprole
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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