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BioLiP

PDB CCD ID: 1OP
Number of entries in BioLiP: 0
Chemical formula: C14 H21 N O4
InChI: InChI=1S/C14H21NO4/c15-13(14(17)18)10-11-4-6-12(7-5-11)19-9-3-1-2-8-16/h4-7,13,16H,1-3,8-10,15H2,(H,17,18)/t13-/m0/s1
InChIKey: IAPUVAQPXWAJKV-ZDUSSCGKSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)Cc1ccc(OCCCCCO)cc1
CACTVS 3.370N[C@@H](Cc1ccc(OCCCCCO)cc1)C(O)=O
OpenEye OEToolkits 1.7.6c1cc(ccc1CC(C(=O)O)N)OCCCCCO
CACTVS 3.370N[CH](Cc1ccc(OCCCCCO)cc1)C(O)=O
OpenEye OEToolkits 1.7.6c1cc(ccc1C[C@@H](C(=O)O)N)OCCCCCO
Name:O-(5-hydroxypentyl)-L-tyrosine
ZINC: ZINC000098207999
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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