SEQ2FUN

BioLiP

PDB CCD ID: A1CDU
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c10-9(12)8(11)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)/t8-/m0/s1
InChIKey: MGFFSFXUXCGTSF-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)CC(C(=O)N)O
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)C[C@@H](C(=O)N)O
ACDLabs 14.52OC(Cc1ccccc1)C(N)=O
CACTVS 3.385NC(=O)[CH](O)Cc1ccccc1
CACTVS 3.385NC(=O)[C@@H](O)Cc1ccccc1
Name:(2S)-2-hydroxy-3-phenylpropanamide
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).