SEQ2FUN

BioLiP

PDB CCD ID: JLN
Number of entries in BioLiP: 2
Chemical formula: C10 H14 N3 O10 P
InChI: InChI=1S/C10H14N3O10P/c14-3-12-8-5(10(17)18)11-2-13(8)9-7(16)6(15)4(23-9)1-22-24(19,20)21/h2-4,6-7,9,15-16H,1H2,(H,12,14)(H,17,18)(H2,19,20,21)/t4-,6-,7-,9-/m1/s1
InChIKey: UEBVPQPUWAADHX-FJGDRVTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)NC=O)C(=O)O
OpenEye OEToolkits 2.0.7c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc(C(O)=O)c2NC=O
CACTVS 3.385O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc(C(O)=O)c2NC=O
Name:5-(FORMYLAMINO)-1-(5-O-PHOSPHONO-BETA-D-RIBOFURANOSYL)-1H-IMIDAZOLE-4-CARBOXYLIC ACID
ZINC: ZINC000098209052
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).