SEQ2FUN

BioLiP

PDB CCD ID: A1B5M
Number of entries in BioLiP: 2
Chemical formula: C10 H17 N5 O3 S
InChI: InChI=1S/C10H17N5O3S/c1-14-7-9(5-12-14)13-19(17,18)15-4-2-3-8(6-15)10(11)16/h5,7-8,13H,2-4,6H2,1H3,(H2,11,16)/t8-/m0/s1
InChIKey: LHMBTQSMJAKEKA-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc(N[S](=O)(=O)N2CCC[CH](C2)C(N)=O)cn1
CACTVS 3.385Cn1cc(N[S](=O)(=O)N2CCC[C@@H](C2)C(N)=O)cn1
ACDLabs 14.52O=S(=O)(Nc1cn(C)nc1)N1CCCC(C1)C(N)=O
OpenEye OEToolkits 3.1.0.0Cn1cc(cn1)NS(=O)(=O)N2CCC[C@@H](C2)C(=O)N
OpenEye OEToolkits 3.1.0.0Cn1cc(cn1)NS(=O)(=O)N2CCCC(C2)C(=O)N
Name:(3S)-1-[(1-methyl-1H-pyrazol-4-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).