SEQ2FUN

BioLiP

PDB CCD ID: JHV
Number of entries in BioLiP: 1
Chemical formula: C11 H10 Cl N3
InChI: InChI=1S/C11H10ClN3/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-7H,13H2,(H,14,15)
InChIKey: LSMXFIQZRFSQBH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1(ccncc1)Nc2ccc(cc2N)Cl
OpenEye OEToolkits 2.0.6c1cc(c(cc1Cl)N)Nc2ccncc2
CACTVS 3.385Nc1cc(Cl)ccc1Nc2ccncc2
Name:4-chloro-N~1~-(pyridin-4-yl)benzene-1,2-diamine
ChEMBL: CHEMBL1896444
ZINC: ZINC000000158735
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).