BioLiP

PDB

BioLiP

PDB CCD ID:

AC4

Number of entries in BioLiP:

Chemical formula:

C9 H15 N4 O8 P

InChI:

InChI=1/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)/t3-,5-,6-,9-/m1/s1/f/h17-18H,11H2

InChIKey:

NOTGFIUVDGNKRI-JBGRYKIDDP

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)N)C(=O)N
CACTVS 3.341	NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1N
ACDLabs 10.04	O=C(c1ncn(c1N)C2OC(C(O)C2O)COP(=O)(O)O)N
OpenEye OEToolkits 1.5.0	c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)N)C(=O)N
CACTVS 3.341	NC(=O)c1ncn([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c1N

Name:

AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE;
AICAR

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).