BioLiP

PDB

BioLiP

PDB CCD ID:

3D2

Number of entries in BioLiP:

Chemical formula:

C18 H24 N4 O

InChI:

InChI=1S/C18H24N4O/c19-9-2-1-8-17(18(20)23)22-12-14-5-3-6-15(11-14)16-7-4-10-21-13-16/h3-7,10-11,13,17,22H,1-2,8-9,12,19H2,(H2,20,23)/t17-/m0/s1

InChIKey:

HSVQHUWOLRPWEF-KRWDZBQOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cc(cc(c1)c2cccnc2)CNC(CCCCN)C(=O)N
ACDLabs 12.01	O=C(N)C(NCc2cc(c1cccnc1)ccc2)CCCCN
OpenEye OEToolkits 1.9.2	c1cc(cc(c1)c2cccnc2)CN[C@@H](CCCCN)C(=O)N
CACTVS 3.385	NCCCC[CH](NCc1cccc(c1)c2cccnc2)C(N)=O
CACTVS 3.385	NCCCC[C@H](NCc1cccc(c1)c2cccnc2)C(N)=O

Name:

N~2~-[3-(pyridin-3-yl)benzyl]-L-lysinamide

ZINC:

ZINC000230471048

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).