SEQ2FUN

BioLiP

PDB CCD ID: BOA
Number of entries in BioLiP: 1
Chemical formula: C5 H3 Br N4 O
InChI: InChI=1S/C5H3BrN4O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H2,7,8,9,10,11)
InChIKey: ONXCBJOMYNPZNI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Brc1nc(O)c2c(n1)ncn2
CACTVS 3.341Oc1nc(Br)nc2nc[nH]c12
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)nc(nc2O)Br
Name:2-BROMO-6-HYDROXY-PURINE
DrugBank: DB04283
ZINC: ZINC000009974955
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).