UCSF

ZINC01576226

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 26 Yes

Popular Name: Fmoc-D-Leu-OH Fmoc-D-Leu-OH

Find On: PubMed — Wikipedia — Google

CAS Numbers: 114360-54-2 , 35661-60-0 , [114360-54-2]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.53 11.18 -53.78 1 5 -1 78 352.41 7 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 151-154? Alfa-Aesar
Melting_Point 151-154° Alfa-Aesar
MP 155 TCI
MP 155°C Indofine
Purity 98% Fluorochem
Therapy antiinflammatory SMDC MicroSource
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 101689 NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 101689 NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NTR1-1-E Neurotensin Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.45 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NTR1_HUMAN P30989 Neurotensin Receptor 1, Human 216 0.36 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Peptide ligand-binding receptors

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