BioLiP

PDB

BioLiP

PDB CCD ID:

DP2

Number of entries in BioLiP:

Chemical formula:

C12 H28 N8 O4

InChI:

InChI=1S/C12H28N8O4/c13-6-2-1-4-8(14)11(22)18-9(10(15)21)5-3-7-17-12(16)19-20(23)24/h8-9,23-24H,1-7,13-14H2,(H2,15,21)(H,18,22)(H3,16,17,19)/t8-,9-/m1/s1

InChIKey:

VKBOUZQMRKGFCB-RKDXNWHRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CCN)C[C@H](C(=O)N[C@H](CCCNC(=N)NN(O)O)C(=O)N)N
OpenEye OEToolkits 1.5.0	C(CCN)CC(C(=O)NC(CCCNC(=N)NN(O)O)C(=O)N)N
CACTVS 3.341	NCCCC[C@@H](N)C(=O)N[C@H](CCCNC(=N)NN(O)O)C(N)=O
ACDLabs 10.04	O=C(N)C(NC(=O)C(N)CCCCN)CCCNC(=[N@H])NN(O)O
CACTVS 3.341	NCCCC[CH](N)C(=O)N[CH](CCCNC(=N)NN(O)O)C(N)=O

Name:

L-LYSYL-N~5~-[(Z)-(2,2-DIHYDROXYHYDRAZINO)(IMINO)METHYL]-L-ORNITHINAMIDE;
D-LYSINE-D-NITROARGININE AMIDE

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).