SEQ2FUN

BioLiP

PDB CCD ID: PRS
Number of entries in BioLiP: 3
Chemical formula: C4 H7 N O2 S
InChI: InChI=1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
InChIKey: DZLNHFMRPBPULJ-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@H](NCS1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CSCN1
CACTVS 3.341OC(=O)[CH]1CSCN1
ACDLabs 10.04O=C(O)C1NCSC1
OpenEye OEToolkits 1.5.0C1C(NCS1)C(=O)O
Name:THIOPROLINE
ChEMBL: CHEMBL1235440
DrugBank: DB02846
ZINC: ZINC000000967473
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).