BioLiP

PDB

BioLiP

PDB CCD ID:

ZSD

Number of entries in BioLiP:

Chemical formula:

C18 H24 N8 O

InChI:

InChI=1S/C18H24N8O/c1-12-16(13(2)27-23-12)10-24(3)8-14-6-15-9-25(4-5-26(15)22-14)18-7-17(19)20-11-21-18/h6-7,11H,4-5,8-10H2,1-3H3,(H2,19,20,21)

InChIKey:

UIAMVAYKSCWAMB-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(Cc1cc2CN(CCn2n1)c3cc(N)ncn3)Cc4c(C)onc4C
ACDLabs 12.01	CN(Cc1c(C)onc1C)Cc1cc2CN(CCn2n1)c1cc(N)ncn1
OpenEye OEToolkits 2.0.7	Cc1c(c(on1)C)CN(C)Cc2cc3n(n2)CCN(C3)c4cc(ncn4)N

Name:

6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine

ZINC:

ZINC000072434670

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).