BioLiP

PDB

BioLiP

PDB CCD ID:

7DA

Number of entries in BioLiP:

Chemical formula:

C11 H15 N4 O6 P

InChI:

InChI=1S/C11H15N4O6P/c12-10-6-1-2-15(11(6)14-5-13-10)9-3-7(16)8(21-9)4-20-22(17,18)19/h1-2,5,7-9,16H,3-4H2,(H2,12,13,14)(H2,17,18,19)/t7-,8+,9+/m0/s1

InChIKey:

JNMXDKIIPORENX-DJLDLDEBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cn(c2c1c(ncn2)N)C3CC(C(O3)COP(=O)(O)O)O
CACTVS 3.341	Nc1ncnc2n(ccc12)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
CACTVS 3.341	Nc1ncnc2n(ccc12)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0	c1cn(c2c1c(ncn2)N)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
ACDLabs 10.04	O=P(O)(O)OCC3OC(n2ccc1c(ncnc12)N)CC3O

Name:

7-DEAZA-2'-DEOXYADENOSINE-5'-MONOPHOSPHATE

ZINC:

ZINC000038580989

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).