Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM507409
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
1.30±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:
BDBM507409
Synonyms:
US11046680, Example 288.0
Type:
Small organic molecule
Emp. Form.:
C21H24ClN9O5S
Mol. Mass.:
549.991
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2ccn(C)n2)n1-c1c(OC)ncnc1OC)c1ccc(Cl)cn1 |r,wU:3.3,2.1,(4.33,-4.59,;3.18,-3.56,;3.5,-2.05,;2.36,-1.02,;2.68,.49,;.89,-1.49,;.12,-2.83,;1.66,-2.83,;-.25,-.46,;-1.71,-.94,;-2.19,-2.4,;-3.73,-2.4,;-4.21,-.94,;-5.75,-.94,;-6.65,.31,;-8.12,-.17,;-8.12,-1.71,;-9.36,-2.61,;-6.65,-2.19,;-2.96,-.03,;-2.96,1.51,;-1.63,2.28,;-.29,1.51,;1.04,2.28,;-1.63,3.82,;-2.96,4.59,;-4.29,3.82,;-4.29,2.28,;-5.63,1.51,;-6.96,2.28,;4.97,-1.57,;5.29,-.07,;6.75,.41,;7.9,-.62,;9.36,-.15,;7.58,-2.13,;6.11,-2.6,)|
Structure:
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