Ligand

Download

Ligand Name:   5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID [2-(1--ISOPROPYL-PIPERIDIN-4-YLSULFAMOYL)-ETHYL]-AMIDE
HET ID:   A7I PubChem:   11990478
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(N1CCC(CC1)NS(=O)(=O)CCNC(=O)c1ccc(s1)Cl)C
Standard InChI:   InChI=1S/C15H24ClN3O3S2/c1-11(2)19-8-5-12(6-9-19)18-24(21,22)10-7-17-15(20)13-3-4-14(16)23-13/h3-4,11-12,18H,5-10H2,1-2H3,(H,17,20)
Molecular Formula:   C15H24ClN3O3S2 Mol. Weight:   393.95236 Heavy Atoms:   24
Charge:   0 Is Chiral:   False logP:   3.724
HBD:   2 HBA:   7 TPSA:   115.13
#Bonds:   25 #Rotatable Bonds:   8 Shape Complexity:   0.6666667
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 4A7I Ki : 2.0 nM PDBBind SHOW
Coagulation factor X P00742 (FA10_HUMAN) Homo sapiens 4A7I Ki : 2.0 nM Binding MOAD SHOW