UCSF

ZINC28013901

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 48 No

Popular Name: (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-5-guanidino-pentanoyl]amino]-5-guanidino (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2…

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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) -5.12 1.72 -183 17 19 2 337 684.844 20 ↓
Mid Mid (pH 6-8) -5.12 1.41 -101.52 16 19 1 335 683.836 20 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NTR1-2-E Neurotensin Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 3900 0.16 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NTR1_MOUSE O88319 Neurotensin Receptor 1, Mouse 3900 0.16 Binding ≤ 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% )