BioLiP

PDB

BioLiP

PDB CCD ID:

KFP

Number of entries in BioLiP:

Chemical formula:

C13 H19 N7 O3

InChI:

InChI=1S/C13H19N7O3/c14-8(12(22)23)3-1-2-4-16-5-7-6-17-10-9(18-7)11(21)20-13(15)19-10/h6,8,16H,1-5,14H2,(H,22,23)(H3,15,17,19,20,21)/t8-/m1/s1

InChIKey:

VSWOPALBOJUOOW-MRVPVSSYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1c(nc2c(n1)N=C(NC2=O)N)CNCCCCC(C(=O)O)N
CACTVS 3.370	N[CH](CCCCNCc1cnc2N=C(N)NC(=O)c2n1)C(O)=O
OpenEye OEToolkits 1.7.6	c1c(nc2c(n1)N=C(NC2=O)N)CNCCCC[C@H](C(=O)O)N
CACTVS 3.370	N[C@H](CCCCNCc1cnc2N=C(N)NC(=O)c2n1)C(O)=O
ACDLabs 12.01	O=C(O)C(N)CCCCNCc2nc1c(N=C(N)NC1=O)nc2

Name:

N~6~-[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]-D-lysine

ZINC:

ZINC000096095489

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).