BDBM100279 Etheno-AMP::[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazo[2,1-f]purin-3-yloxolan-2-yl]methyl dihydrogen phosphate

SMILES: O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c3nccn3cnc12

InChI Key: InChIKey=IRLXSDZTLYOBQH-WOUKDFQISA-N

Data: 1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 100279   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbamoyl-phosphate synthase (H353N) (Escherichia coli (strain K12))	BDBM100279 (Etheno-AMP | [(2R,3S,4R,5R)-3,4-dihydroxy-5-imidaz...) Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c3nccn3cnc12 Show InChI InChI=1S/C12H14N5O7P/c18-8-6(3-23-25(20,21)22)24-12(9(8)19)17-5-14-7-10-13-1-2-16(10)4-15-11(7)17/h1-2,4-6,8-9,12,18-19H,3H2,(H2,20,21,22)/t6-,8-,9-,12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	3.30E+4	n/a	n/a	n/a	7.5	25
Pennsylvania State University									Biochemistry 27: 8050-6 (1988) Article DOI: 10.1021/bi00421a012 BindingDB Entry DOI: 10.7270/Q2X63KJD
					More data for this Ligand-Target Pair