BioLiP

PDB

BioLiP

PDB CCD ID:

P6C

Number of entries in BioLiP:

Chemical formula:

C10 H11 N5 O2

InChI:

InChI=1S/C10H11N5O2/c1-4(2)6-7-8(15-10(11)14-6)12-3-5(13-7)9(16)17/h3-4H,1-2H3,(H,16,17)(H2,11,12,14,15)

InChIKey:

GPHPGFBRJYCUDO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)c1nc2c(nc1)nc(nc2C(C)C)N
CACTVS 3.341	CC(C)c1nc(N)nc2ncc(nc12)C(O)=O
OpenEye OEToolkits 1.5.0	CC(C)c1c2c(ncc(n2)C(=O)O)nc(n1)N

Name:

2-AMINO-4-ISOPROPYL-PTERIDINE-6-CARBOXYLIC ACID

ZINC:

ZINC000005963371

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).