BDBM19477 btnOH-AMP::{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({5-[(4S)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentyl}oxy)phosphinic acid

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OCCCCC[C@@H]2SCC3NC(=O)NC23)[C@@H](O)[C@H]1O

InChI Key: InChIKey=KBOGUFFJCBPJEH-PJAWMEARSA-N

Data: 5 ITC

PDB links: 2 PDB IDs match this monomer. 8 PDB IDs contain this monomer as substructures. 8 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

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

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

Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 19477

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
BirA Bifunctional Protein Mutant (V219A) (Escherichia coli)	BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...)	GoogleScholar PDB	PC cid PC sid PDB		-11.0	2.30	-13.3	8.24	7.5	20
University of Maryland College Park					J Mol Biol 373: 96-111 (2007)
BirA Bifunctional Protein (Escherichia coli)	BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid PDB		-11.8	-2.09	-9.88	8.85	7.5	20
University of Maryland College Park					J Mol Biol 373: 96-111 (2007)
BirA Bifunctional Protein Mutant (W223A) (Escherichia coli)	BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...)	GoogleScholar PDB	PC cid PC sid PDB		-9.98	-2.04	-7.99	7.41	7.5	20
University of Maryland College Park					J Mol Biol 373: 96-111 (2007)
BirA Bifunctional Protein Mutant (V214A) (Escherichia coli)	BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...)	GoogleScholar PDB	PC cid PC sid PDB		-10.9	2.19	-13.1	8.16	7.5	20
University of Maryland College Park					J Mol Biol 373: 96-111 (2007)
BirA Bifunctional Protein (Escherichia coli)	BDBM19477 (btnOH-AMP | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-...)	DrugBank GoogleScholar KEGG PDB	PC cid PC sid PDB		-11.8	-1.90	-9.88	8.83	7.5	20
University of Maryland					Biochemistry 44: 3112-21 (2005)