Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM507433
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
76.0±n/a nM
Citation
 Chen, N; Chen, X; Chen, Y; Cheng, AC; Connors, RV; Deignan, J; Dransfield, PJ; Du, X; Fu, Z; Harvey, JS; Heath, JA; Heumann, LV; Horne, DB; Houze, J; Kaller, MR; Kayser, F; Khakoo, AY; Kopecky, DJ; Lai, S; Ma, Z; Medina, JC; Mihalic, JT; Nishimura, N; Olson, SH; Pattaropong, V; Swaminath, G; Wang, X; Wanska, M; Yang, K; Yeh, W Heteroaryl-substituted triazoles as APJ receptor agonists US Patent  US11046680 Publication Date 6/29/2021 
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:
BDBM507433
Synonyms:
US11046680, Example 312.0
Type:
Small organic molecule
Emp. Form.:
C22H21ClN4O5S3
Mol. Mass.:
553.074
SMILES:
COc1ccc(cc1-n1c(NS(=O)(=O)CCc2ccc(Cl)cc2)nnc1-c1cccs1)S(C)(=O)=O |(.7,.96,;-.63,.19,;-1.97,.96,;-1.97,2.5,;-3.3,3.27,;-4.63,2.5,;-4.63,.96,;-3.3,.19,;-3.3,-1.35,;-2.05,-2.26,;-.59,-1.78,;.5,-2.87,;.9,-4.36,;-.59,-3.96,;1.83,-2.1,;3.17,-2.87,;4.5,-2.1,;5.83,-2.87,;7.17,-2.1,;7.17,-.56,;8.5,.21,;5.83,.21,;4.5,-.56,;-2.53,-3.72,;-4.07,-3.72,;-4.55,-2.26,;-6.01,-1.78,;-6.49,-.32,;-8.03,-.32,;-8.5,-1.78,;-7.26,-2.69,;-5.97,3.27,;-7.3,2.5,;-7.06,4.36,;-4.88,4.36,)|
Structure:
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