BioLiP

PDB

BioLiP

PDB CCD ID:

XX1

Number of entries in BioLiP:

Chemical formula:

C11 H16 N6 O2

InChI:

InChI=1S/C11H16N6O2/c12-7(11(18)19)3-1-2-4-13-9-8-10(15-5-14-8)17-6-16-9/h5-7H,1-4,12H2,(H,18,19)(H2,13,14,15,16,17)/t7-/m0/s1

InChIKey:

YILGCMSDZVYLCZ-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1[nH]c2c(n1)ncnc2NCCCCC(C(=O)O)N
CACTVS 3.341	N[CH](CCCCNc1ncnc2nc[nH]c12)C(O)=O
OpenEye OEToolkits 1.5.0	c1[nH]c2c(n1)ncnc2NCCCC[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CCCCNc1ncnc2ncnc12
CACTVS 3.341	N[C@@H](CCCCNc1ncnc2nc[nH]c12)C(O)=O

Name:

N~6~-7H-PURIN-6-YL-L-LYSINE

ZINC:

ZINC000058638948

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).