Ligand

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Ligand Name:   3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-4-[(4-METHYL-1-PIPERAZINYL)METHYL]-2-THIOPHENECARBOXAMIDE
HET ID:   XLC PubChem:   447193
DrugBank:   - ChEMBL:   CHEMBL227121
Canonical SMILES:   CN1CCN(CC1)Cc1csc(c1Cl)C(=O)Nc1ccc(cc1C(=O)Nc1ccc(cc1)Cl)Cl
Standard InChI:   InChI=1S/C24H23Cl3N4O2S/c1-30-8-10-31(11-9-30)13-15-14-34-22(21(15)27)24(33)29-20-7-4-17(26)12-19(20)23(32)28-18-5-2-16(25)3-6-18/h2-7,12,14H,8-11,13H2,1H3,(H,28,32)(H,29,33)
Molecular Formula:   C24H23Cl3N4O2S Mol. Weight:   537.88904 Heavy Atoms:   34
Charge:   0 Is Chiral:   False logP:   5.9821
HBD:   2 HBA:   7 TPSA:   92.92
#Bonds:   37 #Rotatable Bonds:   8 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 1MQ5 Ki : 0.76 nM, Ki : 1.0 nM BindingDB SHOW
Coagulation factor X P00742 (FA10_HUMAN) Homo sapiens 1MQ5 Ki : 1.0 nM Binding MOAD SHOW