BDBM104011 Fluvibactin

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

InChI Key: InChIKey=LHJFXHHBUCCXIF-OSPHWJPCSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 104011   

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
Siderocalin (Scn) (Homo sapiens (Human))	BDBM104011 (Fluvibactin) Show SMILES C[C@H]1OC(=N[C@@H]1C(=O)N(CCCNC(=O)c1cccc(O)c1O)CCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O |r,c:3| Show InChI InChI=1S/C31H34N4O10/c1-17-24(34-30(45-17)20-9-4-12-23(38)27(20)41)31(44)35(15-5-13-32-28(42)18-7-2-10-21(36)25(18)39)16-6-14-33-29(43)19-8-3-11-22(37)26(19)40/h2-4,7-12,17,24,36-41H,5-6,13-16H2,1H3,(H,32,42)(H,33,43)/t17-,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	34	n/a	n/a	n/a	7.4	n/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				3D Structure (crystal)