SEQ2FUN

BioLiP

PDB CCD ID: L97
Number of entries in BioLiP: 1
Chemical formula: C5 H5 Cl N2
InChI: InChI=1S/C5H5ClN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H2
InChIKey: MEQBJJUWDCYIAB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cccnc1Cl
OpenEye OEToolkits 2.0.6c1cc(c(nc1)Cl)N
Name:2-chloranylpyridin-3-amine
ChEMBL: CHEMBL4639717
ZINC: ZINC000000164466
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).