BDBM50121376 GABACULINE

SMILES: N[C@@H]1CCCC(=C1)C(O)=O

InChI Key: InChIKey=ZCGFCFMGAXXBTD-ZCFIWIBFSA-N

Data: 1 KI

PDB links: 1 PDB ID matches 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 -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121376   

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
Ornithine aminotransferase, mitochondrial (Homo sapiens (Human))	BDBM50121376 (GABACULINE) Show SMILES N[C@@H]1CCCC(=C1)C(O)=O |r,c:5| Show InChI InChI=1S/C7H11NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,6H,1-3,8H2,(H,9,10)/t6-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hebrew University-Hadassah Medical Center Curated by ChEMBL					Assay Description Inhibition of human recombinant OAT using 1 mM alpha-ketoglutarate as substrate				ACS Med Chem Lett 6: 840-4 (2015) BindingDB Entry DOI: 10.7270/Q2TQ63B9
					More data for this Ligand-Target Pair				3D Structure (crystal)