BioLiP

PDB

BioLiP

PDB CCD ID:

ACK

Number of entries in BioLiP:

Chemical formula:

C10 H12 N5 O6 P

InChI:

InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

InChIKey:

KMYWVDDIPVNLME-KQYNXXCUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1nc(c2c(n1)n(cn2)C3C4C(C(O3)CO)OP(=O)(O4)O)N
OpenEye OEToolkits 2.0.6	c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)CO)OP(=O)(O4)O)N
CACTVS 3.385	Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH]4O[P](O)(=O)O[CH]34
CACTVS 3.385	Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@H]4O[P](O)(=O)O[C@@H]34

Name:

2',3'- cyclic AMP

ZINC:

ZINC000001564775

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).