Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM269616

Substrate/Competitor

n/a

Meas. Tech.

[35S]GTPgammaS Binding Assay

7.5±n/a

EC50

0.460±n/a nM

Comments

extracted

Citation

Chen, N; Chen, X; Chen, Y; Fu, Z; Heath, JA; Horne, DB; Kaller, MR; Khakoo, AY; Kopecky, DJ; Ma, Z; Mihalic, JT; Swaminath, G; Wang, X; Yeh, W Methods of treating heart failure US Patent US10058550 Publication Date 8/28/2018

More Info.:

Get all data from this article, Assay Method

Apelin receptor

Name:

Apelin receptor

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

42664.06

Organism:

Homo sapiens (Human)

Description:

P35414

Residue:

380

Sequence:

MEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREK
RRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCL
TGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQ
CYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGL
RKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYV
NSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGK
GGEQMHEKSIPYSQETLVVD

BDBM269616

n/a

Name

BDBM269616

Synonyms:

(1S,2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-1-hydroxy-2-propanesulfonamide, (1R,2S)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-1-hydroxy-2-propanesulfonamide | US10058550, Example 130.0 | US10058550, Example 131.0 | US10058550, Example 132.0 | US9845310, Example 132.0

Type

Small organic molecule

Emp. Form.

C23H24FN7O6S

Mol. Mass.

545.543

SMILES

COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](O)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-6.75,-5.72,;-7.52,-4.39,;-6.75,-3.05,;-7.52,-1.72,;-6.75,-.38,;-5.21,-.38,;-4.44,-1.72,;-5.21,-3.05,;-2.9,-1.72,;-2,-2.96,;-.53,-2.49,;-.53,-.95,;.8,-.18,;2.13,-.95,;1.36,-2.28,;3.47,-1.72,;2.9,.38,;2.13,1.72,;4.44,.38,;5.21,-.95,;5.21,1.72,;6.75,1.72,;7.52,3.05,;6.75,4.39,;7.52,5.72,;5.21,4.39,;4.44,3.05,;-2,-.47,;-2.4,1.01,;-1.31,2.1,;.18,1.71,;1.27,2.79,;-1.71,3.59,;-3.19,3.99,;-4.28,2.9,;-3.88,1.41,;-4.97,.32,;-6.46,.72,)|

Structure