SEQ2FUN

BioLiP

PDB CCD ID: BBL
Number of entries in BioLiP: 6
Chemical formula: C11 H13 N O4
InChI: InChI=1S/C11H13NO4/c1-8(10(13)14)12-11(15)16-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChIKey: TYRGLVWXHJRKMT-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(NC(=O)OCc1ccccc1)C
OpenEye OEToolkits 1.5.0CC(C(=O)O)NC(=O)OCc1ccccc1
CACTVS 3.341C[CH](NC(=O)OCc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)NC(=O)OCc1ccccc1
CACTVS 3.341C[C@H](NC(=O)OCc1ccccc1)C(O)=O
Name:N-[(BENZYLOXY)CARBONYL]-L-ALANINE;
N-BENZYLOXYCARBONYL-L-SERINE-BETALACTONE
ChEMBL: CHEMBL1231234
DrugBank: DB04634
ZINC: ZINC000082067834
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).