Reaction Details  Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50544748
Substrate
n/a
Meas. Tech.
ChEMBL_1993671 (CHEMBL4627566)
EC50
>10000±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 Chem 28:0 (2020) [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:
BDBM50544748
Synonyms:
CHEMBL4649298
Type:
Small organic molecule
Emp. Form.:
C27H40N4O4
Mol. Mass.:
484.6309
SMILES:
COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(N)=O |r,wU:22.24,(66.47,-26.21,;67.1,-27.62,;66.19,-28.87,;64.67,-28.7,;63.75,-29.95,;64.38,-31.36,;65.91,-31.52,;66.54,-32.93,;65.63,-34.18,;66.82,-30.27,;68.36,-30.42,;69.38,-29.28,;70.79,-29.9,;70.63,-31.43,;69.13,-31.76,;68.51,-33.16,;69.42,-34.4,;68.8,-35.81,;70.95,-34.23,;72.12,-29.13,;72.12,-27.59,;73.46,-29.9,;74.79,-29.13,;74.79,-27.59,;76.12,-26.81,;76.12,-25.27,;77.45,-24.51,;77.45,-22.97,;76.12,-22.2,;74.79,-22.97,;74.78,-24.51,;76.13,-29.89,;77.46,-29.12,;78.79,-29.89,;77.46,-27.58,)|
Structure:
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