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BioLiP Library

PDB CCD ID: W01
Number of entries in BioLiP: 1
Chemical formula: C17 H21 N5 O2
InChI: InChI=1S/C17H21N5O2/c1-11-8-14(17-18-21-22(4)19-17)9-12(2)16(11)23-7-5-6-15-10-13(3)20-24-15/h8-10H,5-7H2,1-4H3
InChIKey: RVZKQTQAFHEOKT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nnn(n3)C
ACDLabs 10.04n1n(nnc1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C
CACTVS 3.341Cn1nnc(n1)c2cc(C)c(OCCCc3onc(C)c3)c(C)c2
Name:2,6-DIMETHYL-1-(3-[3-METHYL-5-ISOXAZOLYL]-PROPANYL)-4-[2N-METHYL-2H-TETRAZOL-5-YL]-PHENOL;
WIN61209
ChEMBL: CHEMBL82304
DrugBank: DB08713
ZINC: ZINC000003590249
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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