BioLiP

PDB

BioLiP

PDB CCD ID:

A1L1U

Number of entries in BioLiP:

Chemical formula:

C19 H19 N3 O6

InChI:

InChI=1S/C19H19N3O6/c20-15(10-1-5-12(23)6-2-10)17(25)21-14-9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14-16,23-24H,9,20H2,(H,21,25)(H,27,28)/t14-,15-,16-/m0/s1

InChIKey:

SAVAPYNOQXYBJS-JYJNAYRXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1[C@H](C(=O)N[C@H]2CN(C2=O)[C@H](c3ccc(cc3)O)C(=O)O)N)O
CACTVS 3.385	N[CH](C(=O)N[CH]1CN([CH](C(O)=O)c2ccc(O)cc2)C1=O)c3ccc(O)cc3
OpenEye OEToolkits 2.0.7	c1cc(ccc1C(C(=O)NC2CN(C2=O)C(c3ccc(cc3)O)C(=O)O)N)O
CACTVS 3.385	N[C@H](C(=O)N[C@H]1CN([C@H](C(O)=O)c2ccc(O)cc2)C1=O)c3ccc(O)cc3

Name:

Nocardicin G;
(2~{R})-2-[(3~{S})-3-[[(2~{R})-2-azanyl-2-(4-hydroxyphenyl)ethanoyl]amino]-2-oxidanylidene-azetidin-1-yl]-2-(4-hydroxyphenyl)ethanoic acid

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).