BioLiP

PDB

BioLiP

PDB CCD ID:

UN4

Number of entries in BioLiP:

Chemical formula:

C10 H12 N6 O2

InChI:

InChI=1S/C10H12N6O2/c11-10-15-8-7(12-4-13-8)9(16-10)18-3-5-1-2-6(17)14-5/h4-5H,1-3H2,(H,14,17)(H3,11,12,13,15,16)/t5-/m1/s1

InChIKey:

UYPMMHCTXQIWDX-RXMQYKEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1[nH]c2c(n1)c(nc(n2)N)OCC3CCC(=O)N3
ACDLabs 10.04	O=C1NC(CC1)COc3nc(nc2c3ncn2)N
OpenEye OEToolkits 1.5.0	c1[nH]c2c(n1)c(nc(n2)N)OC[C@H]3CCC(=O)N3
CACTVS 3.341	Nc1nc2[nH]cnc2c(OC[CH]3CCC(=O)N3)n1
CACTVS 3.341	Nc1nc2[nH]cnc2c(OC[C@H]3CCC(=O)N3)n1

Name:

5-{[(2-AMINO-9H-PURIN-6-YL)OXY]METHYL}-2-PYRROLIDINONE

ChEMBL:

CHEMBL271591

DrugBank:

DB02898

ZINC:

ZINC000005955002

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).