UCSF

ZINC04544447

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 37 Yes

Popular Name: Fmoc-Lys(Z)-OH Fmoc-Lys(Z)-OH

Find On: PubMed — Wikipedia — Google

CAS Numbers: 110990-07-3 , 86060-82-4 , [86060-82-4]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.15 -1.95 -59.26 2 8 -1 116 501.559 13 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 110-120? Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q72874-1-V Human Immunodeficiency Virus Type 1 Protease (cluster #1 Of 3), Viral Viruses 22 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q72874_9HIV1 Q72874 Human Immunodeficiency Virus Type 1 Protease, 9hiv1 21.5 0.29 Binding ≤ 1μM
Q72874_9HIV1 Q72874 Human Immunodeficiency Virus Type 1 Protease, 9hiv1 21.5 0.29 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )