SEQ2FUN

BioLiP

PDB CCD ID: 77O
Number of entries in BioLiP: 1
Chemical formula: C9 H8 Cl N3 O
InChI: InChI=1S/C9H8ClN3O/c10-8-5-11-6-9(13-8)12-4-7-2-1-3-14-7/h1-3,5-6H,4H2,(H,12,13)
InChIKey: PEEZSSNXCUTRPK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(oc1)CNc2cncc(n2)Cl
CACTVS 3.385Clc1cncc(NCc2occc2)n1
ACDLabs 12.01c1ncc(Cl)nc1NCc2ccco2
Name:6-chloro-N-[(furan-2-yl)methyl]pyrazin-2-amine
ChEMBL: CHEMBL3954262
ZINC: ZINC000042783988
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).