SEQ2FUN

BioLiP

PDB CCD ID: WCI
Number of entries in BioLiP: 1
Chemical formula: C11 H9 Cl2 N3 O
InChI: InChI=1S/C11H9Cl2N3O/c12-9-3-2-8(6-10(9)13)15-11(17)7-16-5-1-4-14-16/h1-6H,7H2,(H,15,17)
InChIKey: OJNBQDXTZKXOOH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(NC(=O)Cn2cccn2)cc1Cl
ACDLabs 12.01O=C(Nc1ccc(Cl)c(Cl)c1)Cn1cccn1
OpenEye OEToolkits 2.0.7c1cnn(c1)CC(=O)Nc2ccc(c(c2)Cl)Cl
Name:N-(3,4-dichlorophenyl)-2-(1H-pyrazol-1-yl)acetamide
ZINC: ZINC000008714338
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).