BioLiP

PDB

BioLiP

PDB CCD ID:

BWV

Number of entries in BioLiP:

Chemical formula:

C10 H22 N4 O2

InChI:

InChI=1S/C10H22N4O2/c1-2-3-6-13-10(12)14-7-4-5-8(11)9(15)16/h8H,2-7,11H2,1H3,(H,15,16)(H3,12,13,14)/t8-/m0/s1

InChIKey:

YITCPSLTHIGDAI-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCNC(=N)NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.6	CCCCNC(=N)NCCCC(C(=O)O)N
ACDLabs 12.01	NC(C(O)=O)CCCN/C(NCCCC)=N
OpenEye OEToolkits 2.0.6	[H]/N=C(/NCCCC)\NCCC[C@@H](C(=O)O)N
CACTVS 3.385	CCCCNC(=N)NCCC[CH](N)C(O)=O

Name:

N~5~-(N-butylcarbamimidoyl)-L-ornithine

ZINC:

ZINC000027644247

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).