SEQ2FUN

BioLiP

PDB CCD ID: GU7
Number of entries in BioLiP: 1
Chemical formula: C10 H16 N6 O3
InChI: InChI=1S/C10H16N6O3/c11-10-14-8-7(9(19)15-10)16(5-13-8)2-1-12-6(3-17)4-18/h5-6,12,17-18H,1-4H2,(H3,11,14,15,19)
InChIKey: XYCDSKWPYZSIDU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C2c1c(ncn1CCNC(CO)CO)N=C(N2)N
CACTVS 3.341NC1=Nc2ncn(CCNC(CO)CO)c2C(=O)N1
OpenEye OEToolkits 1.5.0c1nc2c(n1CCNC(CO)CO)C(=O)NC(=N2)N
Name:2-AMINO-7-[2-(2-HYDROXY-1-HYDROXYMETHYL-ETHYLAMINO)-ETHYL]-1,7-DIHYDRO-PURIN-6-ONE
DrugBank: DB02391
ZINC: ZINC000003606143
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).