BioLiP

PDB

BioLiP

PDB CCD ID:

OV4

Number of entries in BioLiP:

Chemical formula:

C23 H23 N5 O

InChI:

InChI=1S/C23H23N5O/c1-26(2)19-12-14-20(15-13-19)27(16-18-8-4-3-5-9-18)23(29)17-28-22-11-7-6-10-21(22)24-25-28/h3-15H,16-17H2,1-2H3

InChIKey:

KOZCSUYCMLWBNN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3c4ccccc4nn3
CACTVS 3.385	CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3nnc4ccccc34
ACDLabs 12.01	CN(C)c1ccc(cc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21

Name:

2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]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).