BioLiP

PDB

BioLiP

PDB CCD ID:

08M

Number of entries in BioLiP:

Chemical formula:

C10 H14 N4 O3

InChI:

InChI=1S/C10H14N4O3/c11-7(10(16)17)2-1-3-14-9(15)8-6-12-4-5-13-8/h4-7H,1-3,11H2,(H,14,15)(H,16,17)/t7-/m0/s1

InChIKey:

GJGIGJGNECGMMN-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1cnc(cn1)C(=O)NCCCC(C(=O)O)N
CACTVS 3.370	N[CH](CCCNC(=O)c1cnccn1)C(O)=O
ACDLabs 12.01	O=C(NCCCC(C(=O)O)N)c1nccnc1
OpenEye OEToolkits 1.7.6	c1cnc(cn1)C(=O)NCCC[C@@H](C(=O)O)N
CACTVS 3.370	N[C@@H](CCCNC(=O)c1cnccn1)C(O)=O

Name:

N~5~-(pyrazin-2-ylcarbonyl)-L-ornithine

ZINC:

ZINC000002567637

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).