Ligand
Ligand Name:   Ac-VLTK-AOMK
Ligand Type:   peptide-like
Ligand ID:   COVPDB643 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)C[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)COC(=O)c1c(C)cccc1C
Standard InChI:   InChI=1S/C33H53N5O8/c1-18(2)16-25(37-31(43)28(19(3)4)35-23(8)40)30(42)38-29(22(7)39)32(44)36-24(14-9-10-15-34)26(41)17-46-33(45)27-20(5)12-11-13-21(27)6/h11-13,18-19,22,24-25,28-29,39H,9-10,14-17,34H2,1-8H3,(H,35,40)(H,36,44)(H,37,43)(H,38,42)/t22-,24+,25+,28+,29+/m1/s1
Molecular Formula:   C33H53N5O8 Mol. Weight:   647.3894 logP:   1.20034
HBD:   6 HBA:   9
#Rotatable Bonds:   19 TPSA:   206.02

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Clostripain family A7A9N3 (A7A9N3_9BACT) Parabacteroides merdae ATCC 43184 4YEC CKC
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SHOW
Clostripain-related protein Q8A866 (Q8A866_BACTN) Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / NCTC 10582 / E50 / VPI-5482) 6N9J CKC
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SHOW