SEQ2FUN

BioLiP

PDB CCD ID: 7CH
Number of entries in BioLiP: 1
Chemical formula: C11 H13 N4 O6 P
InChI: InChI=1S/C11H13N4O6P/c12-9-5-1-2-15(10(5)14-4-13-9)11-7(16)8-6(20-11)3-19-22(17,18)21-8/h1-2,4,6-8,11,16H,3H2,(H,17,18)(H2,12,13,14)/t6-,7-,8-,11-/m1/s1
InChIKey: LCYHXWIEMRESTK-KCGFPETGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cn(c2c1c(ncn2)N)C3C(C4C(O3)COP(=O)(O4)O)O
CACTVS 3.385Nc1ncnc2n(ccc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O
ACDLabs 12.01O=P3(OCC4OC(n2c1ncnc(N)c1cc2)C(O)C4O3)O
CACTVS 3.385Nc1ncnc2n(ccc12)[C@@H]3O[C@@H]4CO[P](O)(=O)O[C@H]4[C@H]3O
OpenEye OEToolkits 1.7.6c1cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O
Name:(2S,4aR,6R,7R,7aS)-6-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide;
7-CH-cAMP
ChEMBL: CHEMBL4597534
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).