Ligand |
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Ligand Name: ZLAK-3001 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB876 | PubChem: 25053411 | |
Synonym(s):
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DrugBank: - | ChEMBL: CHEMBL521260 | |
Canonical SMILES: n1cnc(N)c(c12)ncn2CCCNC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3 | ||
Standard InChI: InChI=1S/C27H36N8O5/c1-4-19(22(36)26(38)29-11-8-12-35-16-32-21-23(28)30-15-31-24(21)35)33-25(37)20(13-17(2)3)34-27(39)40-14-18-9-6-5-7-10-18/h5-7,9-10,15-17,19-20H,4,8,11-14H2,1-3H3,(H,29,38)(H,33,37)(H,34,39)(H2,28,30,31)/t19-,20-/m0/s1 | ||
Molecular Formula: C27H36N8O5 | Mol. Weight: 552.2809 | logP: 1.7198 |
HBD: 4 | HBA: 10 | |
#Rotatable Bonds: 14 | TPSA: 183.22 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Calpain-1 catalytic subunit | P97571 (CAN1_RAT) | Rattus norvegicus (Rat) | 2R9C | GRD |
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