BioLiP

PDB

BioLiP

PDB CCD ID:

W01

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1cc(cc(c1OCCCc2cc(no2)C)C)c3nnn(n3)C
ACDLabs 10.04	n1n(nnc1c3cc(c(OCCCc2onc(c2)C)c(c3)C)C)C
CACTVS 3.341	Cn1nnc(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, 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).