Ligand
Ligand Name:   ZLLYCH2F
Ligand Type:   non-polymer
Ligand ID:   COVPDB600 PubChem:   11505008
Synonym(s):  
  •   z-leu-leu-tyr-ch2f
  • n-[(benzyloxy)carbonyl]leucyl-n~1~-[3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]leucinamide
  • calpain inhibitor iv
  • n-[(benzyloxy)carbonyl]-l-leucyl-n-[(1s)-3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]-l-leucinamide
  • zlly-fmk
  • chembl72006
  • db04653
  • q27458613
  • n-[(benzyloxy)carbonyl]leucyl-n(1)-[3-fluoro-1-(4-hydroxybenzyl)-2-oxopropyl]leucinamide
  • benzyl n-[(1s)-1-[[(1s)-1-[[(1s)-3-fluoro-1-[(4-hydroxyphenyl)methyl]-2-oxo-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamate
  • benzyl n-[(2s)-1-[[(2s)-1-[[(2s)-4-fluoro-1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
show 10 synonym(s)
DrugBank:   DB04653 ChEMBL:   CHEMBL72006
Canonical SMILES:   Oc1ccc(cc1)C[C@@H](C(=O)CF)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2
Standard InChI:   InChI=1S/C30H40FN3O6/c1-19(2)14-25(28(37)32-24(27(36)17-31)16-21-10-12-23(35)13-11-21)33-29(38)26(15-20(3)4)34-30(39)40-18-22-8-6-5-7-9-22/h5-13,19-20,24-26,35H,14-18H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)/t24-,25-,26-/m0/s1
Molecular Formula:   C30H40FN3O6 Mol. Weight:   557.2901 logP:   3.8301
HBD:   4 HBA:   6
#Rotatable Bonds:   15 TPSA:   133.83

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Calpain-1 catalytic subunit P07384 (CAN1_HUMAN) Homo sapiens (Human) 1ZCM C1N
-
-
SHOW