BioLiP

PDB

BioLiP

PDB CCD ID:

NIQ

Number of entries in BioLiP:

Chemical formula:

C13 H22 N4 O2

InChI:

InChI=1S/C13H22N4O2/c1-2-3-8-17-11(14)10(12(18)16-13(17)19)15-9-6-4-5-7-9/h9,15H,2-8,14H2,1H3,(H,16,18,19)

InChIKey:

QSWLLYQXNWLJDT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CCCCN1C(=C(C(=O)NC1=O)NC2CCCC2)N
CACTVS 3.385	CCCCN1C(=O)NC(=O)C(=C1N)NC2CCCC2
ACDLabs 12.01	O=C1C(=C(N)N(C(=O)N1)CCCC)NC2CCCC2

Name:

6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4(1H,3H)-dione

ZINC:

ZINC000003246457

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).