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BioLiP

PDB CCD ID: JXO
Number of entries in BioLiP: 4
Chemical formula: C8 H6 Cl N3
InChI: InChI=1S/C8H6ClN3/c9-5-1-2-6-7(3-5)11-4-8(10)12-6/h1-4H,(H2,10,12)
InChIKey: OBVIIEVSLRCJSF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cnc2cc(Cl)ccc2n1
OpenEye OEToolkits 2.0.7c1cc2c(cc1Cl)ncc(n2)N
ACDLabs 12.01Clc1ccc2nc(N)cnc2c1
Name:6-chloroquinoxalin-2-amine
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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