SEQ2FUN

BioLiP

PDB CCD ID: DKQ
Number of entries in BioLiP: 1
Chemical formula: C7 H7 Cl N2
InChI: InChI=1S/C7H7ClN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
InChIKey: LFCUMSZYMJRUHD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1C(=N)N)Cl
CACTVS 3.385NC(=N)c1ccc(Cl)cc1
OpenEye OEToolkits 2.0.6[H]/N=C(/c1ccc(cc1)Cl)\N
Name:4-chloranylbenzenecarboximidamide
ChEMBL: CHEMBL1619866
ZINC: ZINC000000126846
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).