Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50544735

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1993676 (CHEMBL4627571)

38±n/a nM

Citation

Narayanan, S; Vasukuttan, V; Rajagopal, S; Maitra, R; Runyon, SP Identification of potent pyrazole based APELIN receptor (APJ) agonists. Bioorg Med Chem28:0 (2020) [PubMed] Article

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

BDBM50544735

n/a

Name

BDBM50544735

Synonyms:

CHEMBL4640815

Type

Small organic molecule

Emp. Form.

C31H48N4O5

Mol. Mass.

556.7366

SMILES

CC[C@@H](O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:9.9,2.2,(52.82,-9.06,;51.48,-8.29,;50.15,-9.06,;50.15,-10.6,;48.81,-8.3,;47.48,-9.07,;46.15,-8.3,;46.14,-6.76,;44.81,-9.07,;43.48,-8.3,;43.48,-6.76,;44.81,-5.99,;44.81,-4.45,;46.14,-3.68,;46.14,-2.15,;44.81,-1.38,;43.47,-2.15,;43.47,-3.69,;42.15,-9.08,;40.81,-8.31,;40.81,-6.77,;39.48,-9.08,;38.07,-8.46,;37.04,-9.6,;35.51,-9.45,;34.88,-8.04,;35.78,-6.8,;35.16,-5.39,;33.35,-7.88,;32.44,-9.13,;33.06,-10.54,;34.6,-10.7,;35.22,-12.11,;34.32,-13.36,;37.82,-10.94,;37.2,-12.34,;38.11,-13.58,;37.49,-14.99,;39.64,-13.41,;39.32,-10.61,)|

Structure