BDBM231640 DYSQIDSAPEE

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=WWKCTBYLXVSUPF-NHVHBLHWSA-N

Data: 1 Kd  1 ITC

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 = 231640   

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
Thiol:disulfide interchange protein (DsbA) (Acinetobacter baumannii (AYE strain))	BDBM231640 (DYSQIDSAPEE) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C52H76N12O24/c1-4-23(2)41(63-44(79)28(11-14-36(54)68)56-48(83)34(22-66)62-45(80)31(18-25-7-9-26(67)10-8-25)59-42(77)27(53)19-39(73)74)50(85)60-32(20-40(75)76)46(81)61-33(21-65)47(82)55-24(3)51(86)64-17-5-6-35(64)49(84)57-29(12-15-37(69)70)43(78)58-30(52(87)88)13-16-38(71)72/h7-10,23-24,27-35,41,65-67H,4-6,11-22,53H2,1-3H3,(H2,54,68)(H,55,82)(H,56,83)(H,57,84)(H,58,78)(H,59,77)(H,60,85)(H,61,81)(H,62,80)(H,63,79)(H,69,70)(H,71,72)(H,73,74)(H,75,76)(H,87,88)/t23-,24-,27-,28-,29-,30-,31-,32-,33-,34-,35-,41-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	476	n/a	n/a	n/a	7.4	25
University of Queensland					Assay Description Synthetic peptides were purchased from Genicbio Ltd. Peptides were dissolved in 25 mM HEPES, pH 7.4, 100 mM NaCl (ITC buffer) to obtain 4 mM stock so...				J Biol Chem 289: 19869-80 (2014) Article DOI: 10.1074/jbc.M114.571737 BindingDB Entry DOI: 10.7270/Q2QN65M3
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 231640

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
Thiol:disulfide interchange protein (DsbA) (Acinetobacter baumannii (AYE strain))	BDBM231640 (DYSQIDSAPEE)	GoogleScholar PDB	PC cid PC sid		-5.36	1.57	-6.93	3.93	7.40	25
University of Queensland					J Biol Chem 289: 19869-80 (2014)