BioLiP

PDB

BioLiP

PDB CCD ID:

KWV

Number of entries in BioLiP:

Chemical formula:

C11 H11 Cl2 N3 O

InChI:

InChI=1S/C11H11Cl2N3O/c1-7(17)14-11-4-5-16(15-11)8-2-3-9(12)10(13)6-8/h2-3,6H,4-5H2,1H3,(H,14,15,17)

InChIKey:

CQPBYZABXGBFMI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(=O)NC1=NN(CC1)c2ccc(c(c2)Cl)Cl
CACTVS 3.385	CC(=O)NC1=NN(CC1)c2ccc(Cl)c(Cl)c2

Name:

~{N}-[2-(3,4-dichlorophenyl)-3,4-dihydropyrazol-5-yl]ethanamide

ChEMBL:

CHEMBL4471351

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).