SEQ2FUN

BioLiP

PDB CCD ID: BG3
Number of entries in BioLiP: 7
Chemical formula: C6 H11 N O5 S
InChI: InChI=1S/C6H11NO5S/c1-3-2-4(13(10,11)12)7-5(3)6(8)9/h3-5,7H,2H2,1H3,(H,8,9)(H,10,11,12)/t3-,4+,5-/m1/s1
InChIKey: PZCKFQRRNSACOM-MROZADKFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H]1C[C@@H](N[C@H]1C(=O)O)S(=O)(=O)O
CACTVS 3.341C[CH]1C[CH](N[CH]1C(O)=O)[S](O)(=O)=O
ACDLabs 10.04O=S(=O)(O)C1NC(C(=O)O)C(C)C1
OpenEye OEToolkits 1.5.0CC1CC(NC1C(=O)O)S(=O)(=O)O
CACTVS 3.341C[C@@H]1C[C@@H](N[C@H]1C(O)=O)[S](O)(=O)=O
Name:3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID
DrugBank: DB02248
ZINC: ZINC000033821219
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).