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BioLiP Library

PDB CCD ID: AA6
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N2 O5
InChI: InChI=1S/C11H16N2O5/c1-12-8(11(17)18)2-6-3-9(15)10(16)4-7(6)13-5-14/h3-4,8,12-16H,2,5H2,1H3,(H,17,18)/t8-/m0/s1
InChIKey: HMZMIBPZIFJSLM-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CN[C@@H](Cc1cc(c(cc1NCO)O)O)C(=O)O
CACTVS 3.370CN[CH](Cc1cc(O)c(O)cc1NCO)C(O)=O
ACDLabs 12.01O=C(O)C(NC)Cc1c(cc(O)c(O)c1)NCO
OpenEye OEToolkits 1.7.0CNC(Cc1cc(c(cc1NCO)O)O)C(=O)O
CACTVS 3.370CN[C@@H](Cc1cc(O)c(O)cc1NCO)C(O)=O
Name:3-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)-PHENYL]-2-METHYLAMINO-PROPIONIC ACID
ZINC: ZINC000006452437
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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