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BioLiP Library

PDB CCD ID: E1F
Number of entries in BioLiP: 8
Chemical formula: C12 H10 Cl N3 O3 S2
InChI: InChI=1S/C12H10ClN3O3S2/c13-9-6-8(2-3-11(9)21(14,18)19)10(17)7-20-12-15-4-1-5-16-12/h1-6H,7H2,(H2,14,18,19)
InChIKey: ZQEDEEFNLDNUEW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cnc(nc1)SCC(=O)c2ccc(c(c2)Cl)S(=O)(=O)N
ACDLabs 12.01O=S(=O)(N)c2ccc(C(=O)CSc1ncccn1)cc2Cl
CACTVS 3.370N[S](=O)(=O)c1ccc(cc1Cl)C(=O)CSc2ncccn2
Name:2-chloro-4-[(pyrimidin-2-ylsulfanyl)acetyl]benzenesulfonamide
ChEMBL: CHEMBL2443188
ZINC: ZINC000095920929
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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