UCSF

ZINC13738791

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 32 No

Popular Name: (2S)-2-amino-N-[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-4-guanidino-butyl]pentanediami (2S)-2-amino-N-[(1S)-1-[[(1S)-2-…

Find On: PubMed — Wikipedia — Google

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) -2.99 -3.46 -120.62 14 12 2 238 450.544 14 ↓
Ref Reference (pH 7) -2.87 -3.49 -113.24 14 12 2 236 450.544 15 ↓
Hi High (pH 8-9.5) -2.99 -3.79 -56.73 13 12 1 236 449.536 14 ↓
Mid Mid (pH 6-8) -2.87 -3.83 -48.3 13 12 1 234 449.536 15 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPFF2-1-E Neuropeptide FF Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NPFF2_RAT Q9EQD2 Neuropeptide FF Receptor 2, Rat 300 0.29 Binding ≤ 1μM
NPFF2_RAT Q9EQD2 Neuropeptide FF Receptor 2, Rat 300 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Orexin and neuropeptides FF and QRFP bind to their respective receptors

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