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BioLiP

PDB CCD ID: P6C
Number of entries in BioLiP: 2
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:
SoftwareSMILES
ACDLabs 10.04O=C(O)c1nc2c(nc1)nc(nc2C(C)C)N
CACTVS 3.341CC(C)c1nc(N)nc2ncc(nc12)C(O)=O
OpenEye OEToolkits 1.5.0CC(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, Peter L 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).

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