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BioLiP Library

PDB CCD ID: D4P
Number of entries in BioLiP: 3
Chemical formula: C8 H9 N O3
InChI: InChI=1S/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m0/s1
InChIKey: LJCWONGJFPCTTL-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341N[CH](C(O)=O)c1ccc(O)cc1
CACTVS 3.341N[C@H](C(O)=O)c1ccc(O)cc1
ACDLabs 10.04O=C(O)C(N)c1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1[C@@H](C(=O)O)N)O
Name:(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID
ChEMBL: CHEMBL1232077
DrugBank: DB04291
ZINC: ZINC000006667724
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)(download the PDF file).
  • 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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