Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499624
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
38.0±n/a nM
Citation
 Chen, Y; Dransfield, PJ; Harvey, JS; Heath, JA; Houze, J; Khakoo, AY; Kopecky, DJ; Lai, S; Ma, Z; Nishimura, N; Pattaropong, V; Swaminath, G; Yeh, W; Ramsden, PD Cycloalkyl substituted triazole compounds as agonists of the APJ receptor US Patent  US11020395 Publication Date 6/1/2021 
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:
BDBM499624
Synonyms:
US11020395, Example 224.0 | US11020395, Example 225.0
Type:
Small organic molecule
Emp. Form.:
C23H27ClN6O6S
Mol. Mass.:
551.015
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@@H]2CCC(=O)C2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:13.12,3.3,2.1,(4.11,1.17,;3.02,2.25,;3.42,3.74,;2.33,4.83,;2.73,6.32,;.85,4.43,;-.64,4.03,;1.93,3.34,;-.24,5.52,;-1.73,5.12,;-2.21,3.66,;-3.75,3.66,;-4.22,5.12,;-5.56,5.89,;-6.03,7.36,;-7.57,7.36,;-8.05,5.89,;-9.38,5.12,;-6.8,4.99,;-2.98,6.03,;-2.98,7.57,;-4.31,8.34,;-5.64,7.57,;-6.98,8.34,;-4.31,9.88,;-2.98,10.65,;-1.64,9.88,;-1.64,8.34,;-.31,7.57,;1.02,8.34,;4.91,4.14,;6,3.05,;7.49,3.45,;7.88,4.94,;9.37,5.34,;6.8,6.03,;5.31,5.63,)|
Structure:
Search PDB for entries with ligand similarity: