BioLiP

PDB

BioLiP

PDB CCD ID:

6SW

Number of entries in BioLiP:

Chemical formula:

C10 H11 N4 O7 P

InChI:

InChI=1S/C10H11N4O7P/c15-6-7-4(1-19-22(17,18)21-7)20-10(6)14-3-13-5-8(14)11-2-12-9(5)16/h2-4,6-7,10,15H,1H2,(H,17,18)(H,11,12,16)/t4-,6-,7-,10-/m1/s1

InChIKey:

DMJWGQPYNRPLGA-KQYNXXCUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O[CH]1[CH]2O[P](O)(=O)OC[CH]2O[CH]1n3cnc4C(=O)NC=Nc34
OpenEye OEToolkits 2.0.5	c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)COP(=O)(O4)O)O)N=CNC2=O
CACTVS 3.385	O[C@@H]1[C@@H]2O[P](O)(=O)OC[C@H]2O[C@H]1n3cnc4C(=O)NC=Nc34
OpenEye OEToolkits 2.0.5	c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=CNC2=O

Name:

Inosine-3',5'-cyclic monophosphate;
cIMP

ZINC:

ZINC000004095503

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).