UCSF

ZINC26578415

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 41 No

Popular Name: (2S)-2-[(2,6-diisopropylphenyl)carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-[(1S)-tetralin-1-yl]prop (2S)-2-[(2,6-diisopropylphenyl)c…

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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) 5.45 15.26 -15.06 4 6 0 86 550.747 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NMBR-1-E Neuromedin B Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 72 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NMBR_HUMAN P28336 Neuromedin B Receptor, Human 14 0.27 Binding ≤ 1μM
NMBR_HUMAN P28336 Neuromedin B Receptor, Human 14 0.27 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% )