SEQ2FUN

BioLiP

PDB CCD ID: CC5
Number of entries in BioLiP: 8
Chemical formula: C9 H11 N5 O3
InChI: InChI=1S/C9H11N5O3/c10-7-5-8(12-2-11-7)14(3-13-5)9-6(16)4(15)1-17-9/h2-4,6,9,15-16H,1H2,(H2,10,11,12)/t4-,6-,9-/m1/s1
InChIKey: DTGVOXMKTYPSSO-NVMQTXNBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H](CO3)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3OC[C@@H](O)[C@H]3O
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3OC[CH](O)[CH]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(CO3)O)O)N
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OCC(O)C3O)N
Name:BETA-D-ERYTHROFURANOSYL-ADENOSINE
ZINC: ZINC000005392897
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).