SEQ2FUN

BioLiP

PDB CCD ID: KZF
Number of entries in BioLiP: 3
Chemical formula: C8 H17 N O3 S
InChI: InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)
InChIKey: MKWKNSIESPFAQN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CCC(CC1)[NH2+]CCS(=O)(=O)[O-]
CACTVS 3.385[O-][S](=O)(=O)CC[NH2+]C1CCCCC1
Name:2-(cyclohexylazaniumyl)ethanesulfonate
DrugBank: DB03309
ZINC: ZINC000001710230
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).