COVPDB

Ligand

Ligand Name: L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-oxoethyl]butyl}glycinamide
Ligand Type: peptide-like
Ligand ID: COVPDB18	PubChem: 10271857
Synonym(s): h-glu-gly-arg-chloromethylketone chloromethylketone-egr egr-chloromethylketone ggack dihydrochloride egr-cmk h-glu-gly-arg-ch2cl chembl1767120 chebi:157651 l-glu-gly-l-arg-chloromethylketone zinc13507607 (s)-1-chloro-3-(l-glu-gly-amino)-6-guanidino-2-hexanone l-alpha-glutamyl-n-[(3s)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]glycinamide (4s)-4-amino-5-[[2-[[(3s)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid show 12 synonym(s)
DrugBank: -	ChEMBL: CHEMBL1767120
Canonical SMILES: N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl
Standard InChI: InChI=1S/C14H25ClN6O5/c15-6-10(22)9(2-1-5-19-14(17)18)21-11(23)7-20-13(26)8(16)3-4-12(24)25/h8-9H,1-7,16H2,(H,20,26)(H,21,23)(H,24,25)(H4,17,18,19)/t8-,9-/m0/s1
Molecular Formula: C14H25ClN6O5	Mol. Weight: 392.1575	logP: -2.14933
HBD: 7	HBA: 6
#Rotatable Bonds: 13	TPSA: 200.49