SEQ2FUN

BioLiP

PDB CCD ID: HTI
Number of entries in BioLiP: 0
Chemical formula: C7 H14 N2 O5 S
InChI: InChI=1S/C7H14N2O5S/c8-3(6(11)12)1-5(10)15-2-4(9)7(13)14/h3-5,10H,1-2,8-9H2,(H,11,12)(H,13,14)/t3-,4-,5+/m0/s1
InChIKey: ZGWOKDWPXPPFGS-VAYJURFESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)[C@H](O)SC[C@@H](C(=O)O)N
CACTVS 3.341N[CH](CS[CH](O)C[CH](N)C(O)=O)C(O)=O
CACTVS 3.341N[C@@H](CS[C@@H](O)C[C@H](N)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)C(O)SCC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CSC(O)CC(C(=O)O)N
Name:(4S)-4-{[(2S)-2-AMINO-3-OXOPROPYL]SULFANYL}-L-HOMOSERINE
DrugBank: DB03502
ZINC: ZINC000058632347
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).