Ligand Download |
||
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 |