BioLiP

PDB

BioLiP

PDB CCD ID:

ZSG

Number of entries in BioLiP:

Chemical formula:

C15 H22 N8 O

InChI:

InChI=1S/C15H22N8O/c1-21(2)6-5-17-14(24)12-9-11-10-22(7-8-23(11)20-12)13-3-4-18-15(16)19-13/h3-4,9H,5-8,10H2,1-2H3,(H,17,24)(H2,16,18,19)

InChIKey:

SOQWCHRGAQNWSN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C)CCNC(=O)c1cc2CN(CCn2n1)c3ccnc(N)n3
ACDLabs 12.01	CN(C)CCNC(=O)c1cc2CN(CCn2n1)c1ccnc(N)n1
OpenEye OEToolkits 2.0.7	CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n3)N

Name:

(8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

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).