BioLiP

PDB

BioLiP

PDB CCD ID:

A1JHR

Number of entries in BioLiP:

Chemical formula:

C11 H22 N4 O5

InChI:

InChI=1S/C11H22N4O5/c12-5-9(17)15-8(6-16)10(18)14-4-2-1-3-7(13)11(19)20/h7-8,16H,1-6,12-13H2,(H,14,18)(H,15,17)(H,19,20)/t7-,8-/m0/s1

InChIKey:

OXZXXPSZOGBIGZ-YUMQZZPRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C(CCNC(=O)C(CO)NC(=O)CN)CC(C(=O)O)N
OpenEye OEToolkits 2.0.7	C(CCNC(=O)[C@H](CO)NC(=O)CN)C[C@@H](C(=O)O)N
CACTVS 3.385	NCC(=O)N[CH](CO)C(=O)NCCCC[CH](N)C(O)=O
CACTVS 3.385	NCC(=O)N[C@@H](CO)C(=O)NCCCC[C@H](N)C(O)=O

Name:

Gly-Ser-epsilon-Lys;
(2S)-2-azanyl-6-[[(2S)-2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]hexanoic 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).