BioLiP

PDB

BioLiP

PDB CCD ID:

5CT

Number of entries in BioLiP:

Chemical formula:

C10 H23 N3 O3

InChI:

InChI=1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9-/m0/s1

InChIKey:

BZUIJMCJNWUGKQ-IUCAKERBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCC[C@H](O)CNCCCC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.4	C(CCNCC(CCN)O)CC(C(=O)O)N
OpenEye OEToolkits 2.0.4	C(CCNC[C@H](CCN)O)C[C@@H](C(=O)O)N
CACTVS 3.385	NCC[CH](O)CNCCCC[CH](N)C(O)=O
ACDLabs 12.01	C(CCNCC(O)CCN)CC(C(=O)O)N

Name:

Hypusine;
N~6~-[(2S)-4-amino-2-hydroxybutyl]-L-lysine

ZINC:

ZINC000002020107

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).