BioLiP

PDB

BioLiP

PDB CCD ID:

A43

Number of entries in BioLiP:

Chemical formula:

C10 H15 N6 O5 P

InChI:

InChI=1S/C10H15N6O5P/c11-5-1-7(21-6(5)2-20-22(17,18)19)16-4-15-8-9(12)13-3-14-10(8)16/h3-7H,1-2,11H2,(H2,12,13,14)(H2,17,18,19)/t5-,6+,7+/m0/s1

InChIKey:

CQMGILZSAPHZQF-RRKCRQDMSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)N)N
ACDLabs 10.04	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3N
CACTVS 3.341	N[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0	c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O)N)N
CACTVS 3.341	N[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c(N)ncnc23

Name:

3'-AMINO DEOXYADENOSINE 5'-MONOPHOSPHATE

ZINC:

ZINC000058632620

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).