UCSF

ZINC36144041

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 40 No

Popular Name: (2R)-1-[3-nitro-4-[(N'Z)-N'-[sulfanyl-(BLAHylamino)methylene]hydrazino]phenyl]sulfonylpyrrolidine-2- (2R)-1-[3-nitro-4-[(N'Z)-N'-[sul…

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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) 4.12 11.35 -26.08 5 11 0 162 580.692 9 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BKRB2-1-E Bradykinin B2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 299 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BKRB2_HUMAN P30411 Bradykinin B2 Receptor, Human 299 0.23 Binding ≤ 1μM
BKRB2_RAT P25023 Bradykinin B2 Receptor, Rat 654 0.22 Binding ≤ 1μM
BKRB2_HUMAN P30411 Bradykinin B2 Receptor, Human 299 0.23 Binding ≤ 10μM
BKRB2_RAT P25023 Bradykinin B2 Receptor, Rat 654 0.22 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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