BioLiP

PDB

BioLiP

PDB CCD ID:

3ZL

Number of entries in BioLiP:

Chemical formula:

C11 H19 N3 O3

InChI:

InChI=1S/C11H19N3O3/c1-8(12)10(15)5-7-14-6-3-2-4-9(13)11(16)17/h5,7,9,14H,1-4,6,12-13H2,(H,16,17)/b7-5-/t9-/m0/s1

InChIKey:

HDSUFAZLYUUHFR-PGBBXKAQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C=C(C(=O)C=CNCCCCC(C(=O)O)N)N
OpenEye OEToolkits 1.9.2	C=C(C(=O)/C=C\NCCCC[C@@H](C(=O)O)N)N
ACDLabs 12.01	O=C(O)C(N)CCCCN/C=C\C(=O)C(=C)/N
CACTVS 3.385	N[C@@H](CCCCN\C=C/C(=O)C(N)=C)C(O)=O
CACTVS 3.385	N[CH](CCCCNC=CC(=O)C(N)=C)C(O)=O

Name:

N~6~-[(1Z)-4-amino-3-oxopenta-1,4-dien-1-yl]-L-lysine

ZINC:

ZINC000263620500

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).