Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310240
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
730±n/a nM
Citation
 Chen, X; Cheng, AC; Connors, RV; Debenedetto, MV; Dransfield, PJ; Fu, Z; Harvey, JS; Heath, JA; Houze, J; Judd, TC; Kopecky, DJ; Lai, S; Ma, Z; Nishimura, N; Olson, SH; Pattaropong, V; Wang, X Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor US Patent  US10150760 Publication Date 12/11/2018 
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:
BDBM310240
Synonyms:
(2S,3R)-3-(5-chloro-2-pyrimidinyl)-N-(4-(4,6-dimethoxy-5-pyrimidinyl)-5-(3-oxetanyl)-4H-1,2,4-triazol-3-yl)-2-butanesulfonamide | US10150760, Example 35.0
Type:
Small organic molecule
Emp. Form.:
C19H23ClN8O5S
Mol. Mass.:
510.955
SMILES:
COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)nnc1C1COC1 |r,wU:16.17,18.19,(-7.74,1.54,;-6.41,.77,;-5.07,1.54,;-5.07,3.08,;-3.74,3.85,;-2.4,3.08,;-2.4,1.54,;-1.07,.77,;.26,1.54,;-3.74,.77,;-3.74,-.77,;-2.49,-1.67,;-1.16,-.9,;.18,-1.67,;-.59,-3.01,;.95,-3.01,;1.66,-1.28,;2.06,.21,;2.75,-2.36,;2.35,-3.85,;4.24,-1.97,;5.33,-3.05,;6.82,-2.66,;7.21,-1.17,;8.7,-.77,;6.13,-.08,;4.64,-.48,;-2.97,-3.14,;-4.51,-3.14,;-4.98,-1.67,;-6.52,-1.67,;-7.61,-.58,;-8.7,-1.67,;-7.61,-2.76,)|
Structure:
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