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BioLiP Library

PDB CCD ID: A23
Number of entries in BioLiP: 0
Chemical formula: C10 H13 N5 O9 P2
InChI: InChI=1S/C10H13N5O9P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(23-26(19,20)24-7)4(22-10)1-21-25(16,17)18/h2-4,6-7,10H,1H2,(H,19,20)(H2,11,12,13)(H2,16,17,18)/t4-,6-,7-,10-/m1/s1
InChIKey: HJMBCNJTGVMDOA-KQYNXXCUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)COP(=O)(O)O)O[P@@](=O)(O4)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH]4O[P](O)(=O)O[CH]34
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C4C(C(O3)COP(=O)(O)O)OP(=O)(O4)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@H]4O[P@@](O)(=O)O[C@@H]34
ACDLabs 10.04O=P1(OC2C(OC(C2O1)COP(=O)(O)O)n3c4ncnc(N)c4nc3)O
Name:ADENOSINE-5'-PHOSPHATE-2',3'-CYCLIC PHOSPHATE
ChEMBL: CHEMBL1230695
ZINC: ZINC000013776853
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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