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BDBM50167953 3-Methyl-1H-pyrrole::5-METHYLPYRROLE::CHEMBL426643

SMILES: Cc1cc[nH]c1

InChI Key: InChIKey=FEKWWZCCJDUWLY-UHFFFAOYSA-N

Data: 1 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50167953   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysozyme(L99A/M102Q)


(Enterobacteria phage T4)
BDBM50167953
PNG
(3-Methyl-1H-pyrrole | 5-METHYLPYRROLE | CHEMBL4266...)
Show SMILES Cc1cc[nH]c1
Show InChI InChI=1S/C5H7N/c1-5-2-3-6-4-5/h2-4,6H,1H3
PDB
MMDB

KEGG

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CHEBI
CHEMBL
MMDB
PC cid
PC sid
PDB
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Patents

PDB
Article
PubMed
n/an/an/a 1.59E+5n/an/an/an/an/a



University of California San Francisco

Curated by ChEMBL


Assay Description
Dissociation constant against T4 lysozyme mutant L99A


J Med Chem 48: 3714-28 (2005)


Article DOI: 10.1021/jm0491187
BindingDB Entry DOI: 10.7270/Q2VT1SW6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)