BioLiP

PDB

BioLiP

PDB CCD ID:

1OP

Number of entries in BioLiP:

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:

Software	SMILES
ACDLabs 12.01	O=C(O)C(N)Cc1ccc(OCCCCCO)cc1
CACTVS 3.370	N[C@@H](Cc1ccc(OCCCCCO)cc1)C(O)=O
OpenEye OEToolkits 1.7.6	c1cc(ccc1CC(C(=O)O)N)OCCCCCO
CACTVS 3.370	N[CH](Cc1ccc(OCCCCCO)cc1)C(O)=O
OpenEye OEToolkits 1.7.6	c1cc(ccc1C[C@@H](C(=O)O)N)OCCCCCO

Name:

O-(5-hydroxypentyl)-L-tyrosine

ZINC:

ZINC000098207999

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).