SEQ2FUN

BioLiP

PDB CCD ID: Z8B
Number of entries in BioLiP: 3
Chemical formula: C10 H11 Br N8 O3
InChI: InChI=1S/C10H11BrN8O3/c11-10-17-4-7(12)14-2-15-8(4)19(10)9-6(21)5(20)3(22-9)1-16-18-13/h2-3,5-6,9,20-21H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKey: USVISQHKGJAQDS-UUOKFMHZSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Brc2nc1c(ncnc1n2C3OC(C(O)C3O)C\N=[N+]=[N-])N
CACTVS 3.370Nc1ncnc2n([CH]3O[CH](CN=[N+]=[N-])[CH](O)[CH]3O)c(Br)nc12
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(c(n2)Br)[C@H]3[C@@H]([C@@H]([C@H](O3)CN=[N+]=[N-])O)O)N
CACTVS 3.370Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]3O)c(Br)nc12
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(c(n2)Br)C3C(C(C(O3)CN=[N+]=[N-])O)O)N
Name:5'-azido-8-bromo-5'-deoxyadenosine
ZINC: ZINC000081957324
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).