BioLiP

PDB

BioLiP

PDB CCD ID:

B6C

Number of entries in BioLiP:

Chemical formula:

C18 H16 Cl2 N4 O2

InChI:

InChI=1S/C18H16Cl2N4O2/c1-9-16(10(2)23-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(25)24-26/h3-8,21,26H,1-2H3,(H,22,23)(H,24,25)

InChIKey:

UMQKDDMRCQAIGA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1(c(c(Cl)cc(c1)c2c(C)nnc2C)Nc3ccccc3C(NO)=O)Cl
CACTVS 3.385	Cc1[nH]nc(C)c1c2cc(Cl)c(Nc3ccccc3C(=O)NO)c(Cl)c2
OpenEye OEToolkits 2.0.6	Cc1c(c(n[nH]1)C)c2cc(c(c(c2)Cl)Nc3ccccc3C(=O)NO)Cl

Name:

2-{[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]amino}-N-hydroxybenzamide

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).