SEQ2FUN

BioLiP

PDB CCD ID: SFE
Number of entries in BioLiP: 8
Chemical formula: C9 H11 N O2
InChI: InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKey: UJOYFRCOTPUKAK-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc(cc1)C(CC(=O)O)N
ACDLabs 12.01O=C(O)CC(N)c1ccccc1
CACTVS 3.370N[CH](CC(O)=O)c1ccccc1
CACTVS 3.370N[C@@H](CC(O)=O)c1ccccc1
Name:(3S)-3-amino-3-phenylpropanoic acid;
S-BETA-PHENYLALANINE
ZINC: ZINC000000054291
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).