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BioLiP

PDB CCD ID: 1DP
Number of entries in BioLiP: 0
Chemical formula: C11 H15 N4 O7 P
InChI: InChI=1S/C11H15N4O7P/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(17)8(16)6(22-11)3-21-23(18,19)20/h1-2,4,6,8-9,11,16-17H,3H2,(H2,12,13)(H2,18,19,20)/t6-,8-,9-,11-/m1/s1
InChIKey: MKNCBTMEOTYSIQ-PNHWDRBUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cnc2c(c1N)ncn2C3C(C(C(O3)COP(=O)(O)O)O)O
CACTVS 3.341Nc1ccnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.5.0c1cnc2c(c1N)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c(N)ccnc12)C(O)C3O
CACTVS 3.341Nc1ccnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
Name:N1-deaza-adenosine-5'-monophosphate;
3-(5-O-phosphono-beta-D-ribofuranosyl)-3H-imidazo[4,5-b]pyridin-7-amine
ZINC: ZINC000058632995
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).
  • 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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