BioLiP

PDB

BioLiP

PDB CCD ID:

MIK

Number of entries in BioLiP:

Chemical formula:

C12 H18 N4 O2

InChI:

InChI=1S/C12H18N4O2/c13-10(12(17)18)3-1-2-6-16-11(14)9-4-7-15-8-5-9/h4-5,7-8,10H,1-3,6,13H2,(H2,14,16)(H,17,18)/t10-/m0/s1

InChIKey:

PJJTVLHYIWKZDX-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cnccc1/C(=N/CCCC[C@@H](C(=O)O)N)/N
ACDLabs 10.04	O=C(O)C(N)CCCC/N=C(/c1ccncc1)N
CACTVS 3.341	N[CH](CCCCN=C(N)c1ccncc1)C(O)=O
CACTVS 3.341	N[C@@H](CCCCN=C(N)c1ccncc1)C(O)=O
OpenEye OEToolkits 1.5.0	c1cnccc1C(=NCCCCC(C(=O)O)N)N

Name:

METHYL ISONICOTINIMIDATE LYSINE

ZINC:

ZINC000006393769

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).