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BioLiP Library

PDB CCD ID: W02
Number of entries in BioLiP: 1
Chemical formula: C17 H21 N5 O2
InChI: InChI=1S/C17H21N5O2/c1-11-8-15(22-19-14(4)18-21-22)9-12(2)17(11)23-7-5-6-16-10-13(3)20-24-16/h8-10H,5-7H2,1-4H3
InChIKey: DRCNRTRGWUYJBH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc(cc(c1OCCCc2cc(no2)C)C)n3nc(nn3)C
ACDLabs 10.04n1c(nnn1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C
CACTVS 3.341Cc1cc(CCCOc2c(C)cc(cc2C)n3nnc(C)n3)on1
Name:2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[4-METHYL-2H-TETRAZOL-2-YL]-PHENOL;
WIN68934
DrugBank: DB08714
ZINC: ZINC000006521985
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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