SEQ2FUN

BioLiP

PDB CCD ID: CLU
Number of entries in BioLiP: 3
Chemical formula: C9 H9 Cl2 N3
InChI: InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
InChIKey: GJSURZIOUXUGAL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(c(c1)Cl)N=C2NCCN2)Cl
ACDLabs 10.04Clc2c(\N=C1/NCCN1)c(Cl)ccc2
CACTVS 3.341Clc1cccc(Cl)c1N=C2NCCN2
Name:2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE;
CLONIDINE
ChEMBL: CHEMBL134
DrugBank: DB00575
ZINC: ZINC000000896484
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).