SEQ2FUN

BioLiP

PDB CCD ID: 4JJ
Number of entries in BioLiP: 1
Chemical formula: C6 H7 Cl N2
InChI: InChI=1S/C6H7ClN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
InChIKey: BXIXXXYDDJVHDL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1cc(Cl)cc(c1N)N
CACTVS 3.385Nc1ccc(Cl)cc1N
OpenEye OEToolkits 1.9.2c1cc(c(cc1Cl)N)N
Name:4-chlorobenzene-1,2-diamine
ChEMBL: CHEMBL552741
ZINC: ZINC000000388066
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).