Ki Summary

Reaction Details

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Target

Muscarinic acetylcholine receptor M2

Ligand

BDBM50474563

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_140026 (CHEMBL745569)

EC50

398±n/a nM

Citation

Stiefl, N; Baumann, K Mapping property distributions of molecular surfaces: algorithm and evaluation of a novel 3D quantitative structure-activity relationship technique. J Med Chem46:1390-407 (2003) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Muscarinic acetylcholine receptor M2

Name:

Muscarinic acetylcholine receptor M2

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

51688.65

Organism:

GUINEA PIG

Description:

Cholinergic, muscarinic 0 GUINEA PIG::P06199

Residue:

466

Sequence:

MNNSTNSSNSGLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNY
FLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFD
RYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQF
FSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQEPVSPSLVQGRI
VKPNNNNMPGSDEALEHNKIQNGKAPRDAVTENCVQGEEKESSNDSTSVSAVASNMRDDE
ITQDENTVSTSLGHSKDENSKQTCIKIVTKTQKSDSCTPANTTVELVGSSGQNGDEKQNI
VARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNT
VWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR

BDBM50474563

n/a

Name

BDBM50474563

Synonyms:

CHEMBL284962

Type

Small organic molecule

Emp. Form.

C41H52N4O4

Mol. Mass.

664.8749

SMILES

C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)CC2c3ccccc3C(c3ccccc23)C1=O)CCCN1C(=O)c2ccccc2C1=O |TLB:21:20:27.32:33.15.16.18,31:32:25.20:33.15.16.18,34:33:27.32:25.20,THB:17:16:27.32:25.20,28:27:25.20:33.15.16.18,24:25:27.32:33.15.16.18,(6.23,-3.34,;5.14,-4.44,;4.04,-5.54,;6.68,-4.44,;7.45,-5.77,;8.99,-5.77,;9.76,-7.12,;11.3,-7.12,;12.07,-8.45,;13.61,-8.45,;14.38,-7.1,;12.84,-9.78,;14.38,-9.78,;15.92,-9.78,;16.69,-11.11,;18.23,-11.11,;19.14,-12.35,;18.67,-13.82,;20.56,-11.95,;23.25,-12.35,;23.25,-10.34,;24.58,-9.57,;24.58,-8.03,;23.25,-7.26,;21.92,-8.03,;21.92,-9.57,;20.6,-10.34,;20.73,-12.47,;19.42,-13.26,;19.44,-14.79,;20.8,-15.54,;22.1,-14.75,;22.08,-13.21,;19.14,-9.85,;18.67,-8.4,;4.37,-3.11,;2.83,-3.11,;2.06,-1.78,;.52,-1.78,;-.39,-.54,;.09,.93,;-1.87,-1,;-3.24,-.22,;-4.57,-1.01,;-4.57,-2.57,;-3.21,-3.34,;-1.87,-2.57,;-.39,-3.04,;.08,-4.5,)|

Structure