BioLiP

PDB

BioLiP

PDB CCD ID:

IZM

Number of entries in BioLiP:

Chemical formula:

C15 H15 N3 O2 S

InChI:

InChI=1S/C15H15N3O2S/c1-18(2)15-16-9-11(21-15)5-7-14-17-12-6-4-10(19-3)8-13(12)20-14/h4-9H,1-3H3/b7-5+

InChIKey:

OUTYOEMCQQPMJT-FNORWQNLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)c1ncc(s1)/C=C/c2nc3ccc(cc3o2)OC
CACTVS 3.385	COc1ccc2nc(oc2c1)C=Cc3sc(nc3)N(C)C
CACTVS 3.385	COc1ccc2nc(oc2c1)/C=C/c3sc(nc3)N(C)C
OpenEye OEToolkits 2.0.7	CN(C)c1ncc(s1)C=Cc2nc3ccc(cc3o2)OC

Name:

5-[(~{E})-2-(6-methoxy-1,3-benzoxazol-2-yl)ethenyl]-~{N},~{N}-dimethyl-1,3-thiazol-2-amine

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).