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BioLiP

PDB CCD ID: LZ4
Number of entries in BioLiP: 1
Chemical formula: C10 H9 Cl N4 O2 S
InChI: InChI=1S/C10H9ClN4O2S/c11-9-5-13-6-10(15-9)14-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H,14,15)(H2,12,16,17)
InChIKey: RSNSGNZRUMHXAY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N
ACDLabs 10.04Clc2nc(Nc1ccc(cc1)S(=O)(=O)N)cnc2
CACTVS 3.341N[S](=O)(=O)c1ccc(Nc2cncc(Cl)n2)cc1
Name:4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
ChEMBL: CHEMBL487738
DrugBank: DB08134
ZINC: ZINC000016052861
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).
  • 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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