BioLiP

PDB

BioLiP

PDB CCD ID:

I3J

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O3

InChI:

InChI=1S/C10H9NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6H2,(H,13,14)/t9-/m0/s1

InChIKey:

YAVJAMZLLTZAJX-VIFPVBQESA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH](Cc1ccc(O)cc1)[N+]#[C-]
OpenEye OEToolkits 2.0.7	[C-]#[N+][C@@H](Cc1ccc(cc1)O)C(=O)O
CACTVS 3.385	OC(=O)[C@H](Cc1ccc(O)cc1)[N+]#[C-]
ACDLabs 12.01	Oc1ccc(CC([N+]#[C-])C(=O)O)cc1
OpenEye OEToolkits 2.0.7	[C-]#[N+]C(Cc1ccc(cc1)O)C(=O)O

Name:

(2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoic acid;
tyrosine isonitrile

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).