BioLiP

PDB

BioLiP

PDB CCD ID:

TYN

Number of entries in BioLiP:

Chemical formula:

C15 H16 N4 O4

InChI:

InChI=1S/C15H16N4O4/c16-10-5-6-12(14-13(10)18-23-19-14)22-9-3-1-8(2-4-9)7-11(17)15(20)21/h1-6,11,18-19H,7,16-17H2,(H,20,21)/t11-/m0/s1

InChIKey:

ZNGSFCGILGYFIU-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[C@@H](Cc1ccc(Oc2ccc(N)c3NONc23)cc1)C(O)=O
CACTVS 3.341	N[CH](Cc1ccc(Oc2ccc(N)c3NONc23)cc1)C(O)=O
ACDLabs 10.04	O=C(O)C(N)Cc3ccc(Oc2ccc(c1NONc12)N)cc3
OpenEye OEToolkits 1.5.0	c1cc(ccc1CC(C(=O)O)N)Oc2ccc(c3c2NON3)N
OpenEye OEToolkits 1.5.0	c1cc(ccc1C[C@@H](C(=O)O)N)Oc2ccc(c3c2NON3)N

Name:

AMINOBENZOFURAZAN-O-TYROSINE

ZINC:

ZINC000006548111

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).