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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

BioLiP

PDB CCD ID: 01B
Number of entries in BioLiP: 2
Chemical formula: C10 H13 N O3
InChI: InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9+/m1/s1
InChIKey: LDSJMFGYNFIFRK-BDAKNGLRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)CC(C(C(=O)O)O)N
ACDLabs 12.01O=C(O)C(O)C(N)Cc1ccccc1
CACTVS 3.370N[CH](Cc1ccccc1)[CH](O)C(O)=O
OpenEye OEToolkits 1.7.0c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N
CACTVS 3.370N[C@H](Cc1ccccc1)[C@H](O)C(O)=O
Name:(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoic acid
ChEMBL: CHEMBL70899
ZINC: ZINC000006096602

Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).
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