BioLiP

PDB

BioLiP

PDB CCD ID:

W02

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1cc(cc(c1OCCCc2cc(no2)C)C)n3nc(nn3)C
ACDLabs 10.04	n1c(nnn1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C
CACTVS 3.341	Cc1cc(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, Lydia 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).