SEQ2FUN

BioLiP

PDB CCD ID: A1B4N
Number of entries in BioLiP: 2
Chemical formula: C12 H18 N4 O4 S
InChI: InChI=1S/C12H18N4O4S/c1-20-12-10(5-2-6-14-12)15-21(18,19)16-7-3-4-9(8-16)11(13)17/h2,5-6,9,15H,3-4,7-8H2,1H3,(H2,13,17)/t9-/m0/s1
InChIKey: BWOXLKDHBJDGAX-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0COc1c(cccn1)NS(=O)(=O)N2CCCC(C2)C(=O)N
OpenEye OEToolkits 3.1.0.0COc1c(cccn1)NS(=O)(=O)N2CCC[C@@H](C2)C(=O)N
CACTVS 3.385COc1ncccc1N[S](=O)(=O)N2CCC[C@@H](C2)C(N)=O
CACTVS 3.385COc1ncccc1N[S](=O)(=O)N2CCC[CH](C2)C(N)=O
ACDLabs 14.52O=S(=O)(Nc1cccnc1OC)N1CCCC(C1)C(N)=O
Name:(3S)-1-[(2-methoxypyridin-3-yl)sulfamoyl]piperidine-3-carboxamide
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).