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BioLiP

PDB CCD ID: TYE
Number of entries in BioLiP: 13
Chemical formula: C9 H13 N O2
InChI: InChI=1S/C9H13NO2/c10-8(6-11)5-7-1-3-9(12)4-2-7/h1-4,8,11-12H,5-6,10H2/t8-/m0/s1
InChIKey: DBLDQZASZZMNSL-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(ccc1CC(CO)N)O
CACTVS 3.370N[CH](CO)Cc1ccc(O)cc1
ACDLabs 12.01Oc1ccc(cc1)CC(N)CO
CACTVS 3.370N[C@H](CO)Cc1ccc(O)cc1
OpenEye OEToolkits 1.7.0c1cc(ccc1C[C@@H](CO)N)O
Name:4-[(2S)-2-amino-3-hydroxypropyl]phenol;
tyrosinol;
bound form of TYROSINAL
ZINC: ZINC000000403178
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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