BioLiP

PDB

BioLiP

PDB CCD ID:

OQF

Number of entries in BioLiP:

Chemical formula:

C20 H20 N6 O S

InChI:

InChI=1S/C20H20N6OS/c1-24(2)16-7-9-17(10-8-16)25(11-15-13-28-14-21-15)20(27)12-26-19-6-4-3-5-18(19)22-23-26/h3-10,13-14H,11-12H2,1-2H3

InChIKey:

BZTBYCRNDCQTCD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn3c4ccccc4nn3
CACTVS 3.385	CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn3nnc4ccccc34
ACDLabs 12.01	O=C(Cn1nnc2ccccc21)N(Cc1cscn1)c1ccc(cc1)N(C)C

Name:

2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide

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).