BDBM231641 QIDSAPEE

SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=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=SYRAIWPWGSRDKL-XKCWGWNTSA-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 = 231641   

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))	BDBM231641 (QIDSAPEE) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCC(N)=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/C36H57N9O17/c1-4-16(2)28(44-29(54)18(37)7-10-24(38)47)34(59)42-21(14-27(52)53)31(56)43-22(15-46)32(57)39-17(3)35(60)45-13-5-6-23(45)33(58)40-19(8-11-25(48)49)30(55)41-20(36(61)62)9-12-26(50)51/h16-23,28,46H,4-15,37H2,1-3H3,(H2,38,47)(H,39,57)(H,40,58)(H,41,55)(H,42,59)(H,43,56)(H,44,54)(H,48,49)(H,50,51)(H,52,53)(H,61,62)/t16-,17-,18-,19-,20-,21-,22-,23-,28-/m0/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.68E+3	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 = 231641

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))	BDBM231641 (QIDSAPEE)	GoogleScholar PDB	PC cid PC sid		-1.88	3.13	-5.02	1.38	7.40	25
University of Queensland					J Biol Chem 289: 19869-80 (2014)