Ligand
Ligand Name:   Suc-Ala-Ala-Pro-Phe-chloromethylketone
Ligand Type:   non-polymer
Ligand ID:   COVPDB1011 PubChem:   10459843
Synonym(s):  
  •   succinyl-l-ala-ala-pro-phe-chloromethylketone
  • n-succinyl-ala-ala-pro-phe-chloromethyl ketone
  • [n-(3-carboxypropionyl)-l-ala-l-ala-l-pro-l-phe-]chloromethane
show 2 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C[C@H](NC(=O)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl
Standard InChI:   InChI=1S/C25H33ClN4O7/c1-15(27-21(32)10-11-22(33)34)23(35)28-16(2)25(37)30-12-6-9-19(30)24(36)29-18(20(31)14-26)13-17-7-4-3-5-8-17/h3-5,7-8,15-16,18-19H,6,9-14H2,1-2H3,(H,27,32)(H,28,35)(H,29,36)(H,33,34)/t15-,16-,18-,19-/m0/s1
Molecular Formula:   C25H33ClN4O7 Mol. Weight:   536.2038 logP:   0.387
HBD:   4 HBA:   6
#Rotatable Bonds:   13 TPSA:   161.98

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Kallikrein-7 P49862 (KLK7_HUMAN) Homo sapiens (Human) 2QXI K7J
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SHOW
Kallikrein-7 P49862 (KLK7_HUMAN) Homo sapiens (Human) 2QXH K7J
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SHOW
Kallikrein-7 P49862 (KLK7_HUMAN) Homo sapiens (Human) 2QXJ K7J
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SHOW