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BDBM104013 Vibriobactin

SMILES: C[C@H]1OC(=NC1C(=O)CCCCN(CCCNC(=O)c1cccc(O)c1O)C(=O)[C@H]1N=C(O[C@@H]1C)c1cccc(O)c1O)c1cccc(O)c1O

InChI Key: InChIKey=IITCHWQSVXZTOJ-VJMXMHLISA-N

Data: 1 Kd

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 104013   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Siderocalin (Scn)


(Homo sapiens (Human))		BDBM104013
PNG
(Vibriobactin)
Show SMILES C[C@H]1OC(=NC1C(=O)CCCCN(CCCNC(=O)c1cccc(O)c1O)C(=O)[C@H]1N=C(O[C@@H]1C)c1cccc(O)c1O)c1cccc(O)c1O |r,c:3,32|
Show InChI InChI=1S/C36H40N4O11/c1-19-28(38-34(50-19)22-10-6-14-26(43)31(22)46)24(41)12-3-4-17-40(18-8-16-37-33(48)21-9-5-13-25(42)30(21)45)36(49)29-20(2)51-35(39-29)23-11-7-15-27(44)32(23)47/h5-7,9-11,13-15,19-20,28-29,42-47H,3-4,8,12,16-18H2,1-2H3,(H,37,48)/t19-,20-,28?,29+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/a 56n/an/an/a7.4n/a



University of California



Assay Description
The ligand solutions (10uM siderophore, TBS with 5% (v/v) DMSO, pH 7.4) were prepared from 4mM stock solution in DMSO. The protein solution was pre...

ACS Chem Biol 8: 1882-7 (2013)


Article DOI: 10.1021/cb4002552
BindingDB Entry DOI: 10.7270/Q2S1815S
More data for this
Ligand-Target Pair