BioLiP

PDB

BioLiP

PDB CCD ID:

L0X

Number of entries in BioLiP:

Chemical formula:

C22 H37 N5 O

InChI:

InChI=1S/C22H37N5O/c1-2-21(28)27(15-8-4-7-14-25-22(23)24)20-12-17-26(18-13-20)16-11-19-9-5-3-6-10-19/h3,5-6,9-10,20H,2,4,7-8,11-18H2,1H3,(H4,23,24,25)

InChIKey:

GYNGGXVVNBPKPG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	[H]/N=C(/N)\NCCCCCN(C1CCN(CC1)CCc2ccccc2)C(=O)CC
ACDLabs 12.01	CCC(=O)N(CCCCCNC(=N)N)C1CCN(CCc2ccccc2)CC1
OpenEye OEToolkits 2.0.7	CCC(=O)N(CCCCCNC(=N)N)C1CCN(CC1)CCc2ccccc2
CACTVS 3.385	CCC(=O)N(CCCCCNC(N)=N)C1CCN(CC1)CCc2ccccc2

Name:

N-(5-carbamimidamidopentyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

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).