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BioLiP Library

PDB CCD ID: RV1
Number of entries in BioLiP: 3
Chemical formula: C10 H12 N2 O3 S
InChI: InChI=1S/C10H12N2O3S/c11-8-3-5-9(6-4-8)16(14,15)12-10(13)7-1-2-7/h3-7H,1-2,11H2,(H,12,13)
InChIKey: KTKSMAGLIAHVSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=S(=O)(NC(=O)C1CC1)c2ccc(N)cc2
OpenEye OEToolkits 1.7.6c1cc(ccc1N)S(=O)(=O)NC(=O)C2CC2
CACTVS 3.385Nc1ccc(cc1)[S](=O)(=O)NC(=O)C2CC2
Name:N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide
ChEMBL: CHEMBL3414693
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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