Ligand

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Ligand Name:   N-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
HET ID:   D46 PubChem:   24936173
DrugBank:   - ChEMBL:   CHEMBL1681798
Canonical SMILES:   CN1CCc2c(C1)sc(n2)C(=O)Nc1ccccc1CNC(=O)c1ccc(s1)Cl
Standard InChI:   InChI=1S/C20H19ClN4O2S2/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15/h2-7H,8-11H2,1H3,(H,22,26)(H,23,27)
Molecular Formula:   C20H19ClN4O2S2 Mol. Weight:   446.97345 Heavy Atoms:   29
Charge:   0 Is Chiral:   False logP:   4.43
HBD:   2 HBA:   8 TPSA:   130.81
#Bonds:   32 #Rotatable Bonds:   7 Shape Complexity:   0.25
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Coagulation factor X P00742 (FA10_HUMAN) Homo sapiens 3TK6 IC50 : 1.7 nM BindingDB SHOW