Ligand

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Ligand Name:   4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL] METHYL]-2-PIPERAZINECARBOXYLIC ACID
HET ID:   XMG PubChem:   446342
DrugBank:   - ChEMBL:   CHEMBL1236829
Canonical SMILES:   OC(=O)[C@@H]1CN(CCN1CC1CCN(CC1)c1ccncc1)S(=O)(=O)c1ccc2c(c1)ccc(c2)Cl
Standard InChI:   InChI=1S/C26H29ClN4O4S/c27-22-3-1-21-16-24(4-2-20(21)15-22)36(34,35)31-14-13-30(25(18-31)26(32)33)17-19-7-11-29(12-8-19)23-5-9-28-10-6-23/h1-6,9-10,15-16,19,25H,7-8,11-14,17-18H2,(H,32,33)/t25-/m0/s1
Molecular Formula:   C26H29ClN4O4S Mol. Weight:   529.05084 Heavy Atoms:   36
Charge:   0 Is Chiral:   True logP:   4.5859
HBD:   1 HBA:   8 TPSA:   102.43
#Bonds:   41 #Rotatable Bonds:   6 Shape Complexity:   0.3846154
Stereocomplexity:   0.03846154
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Coagulation factor X P00742 (FA10_HUMAN) Homo sapiens 1IQI
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