Reaction Details  Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50571395
Substrate
n/a
Meas. Tech.
ChEMBL_2114593 (CHEMBL4823534)
EC50
3399±n/a nM
Citation
 Narayanan, S; Wang, S; Vasukuttan, V; Vyas Devambatla, RK; Dai, D; Jin, C; Snyder, R; Laudermilk, L; Runyon, SP; Maitra, R Pyrazole Agonist of the Apelin Receptor Improves Symptoms of Metabolic Syndrome in Mice. J Med Chem 64:3006-3025 (2021) [PubMed]  Article
Target
Name:
Apelin receptor
Synonyms:
AGTRL1 | APJ | APJ_HUMAN | APLNR | Angiotensin receptor-like 1 | Apelin receptor | Apelin receptor (APJ) | G-protein coupled receptor APJ | G-protein coupled receptor HG11
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42664.06
Organism:
Homo sapiens (Human)
Description:
P35414
Residue:
380
Sequence:
MEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQCYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVVD
  
Inhibitor
Name:
BDBM50571395
Synonyms:
CHEMBL4862328
Type:
Small organic molecule
Emp. Form.:
C31H45N5O5
Mol. Mass.:
567.7195
SMILES:
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1(C)COC1 |r,wU:23.26,(55.82,-9.68,;56.96,-10.71,;56.64,-12.21,;55.18,-12.69,;54.86,-14.2,;56.02,-15.23,;57.47,-14.74,;58.62,-15.77,;58.31,-17.28,;57.79,-13.24,;59.24,-12.77,;59.72,-11.3,;61.26,-11.3,;61.73,-12.76,;60.49,-13.67,;60.5,-15.21,;59.26,-16.11,;59.73,-17.58,;61.27,-17.58,;61.75,-16.11,;62.16,-10.05,;61.53,-8.65,;63.69,-10.21,;64.59,-8.96,;63.97,-7.56,;64.87,-6.31,;64.24,-4.9,;65.15,-3.65,;64.53,-2.25,;63,-2.09,;62.09,-3.33,;62.72,-4.75,;66.13,-9.12,;67.03,-7.87,;66.4,-6.47,;68.56,-8.03,;69.46,-6.79,;70.55,-7.87,;70.98,-6.54,;70.73,-5.02,;69.22,-5.26,)|
Structure:
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