Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Apelin receptor
Ligand
BDBM269916
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
EC50
4.90±n/a nM
Citation
Chen, N; Chen, X; Chen, Y; Cheng, AC; Connors, RV; Deignan, J; Dransfield, PJ; Du, X; Fu, Z; Heath, JA; Horne, DB; Houze, J; Kaller, MR; Khakoo, AY; Kopecky, DJ; Lai, S; Ma, Z; McGee, LR; Medina, JC; Mihalic, JT; Nishimura, N; Olson, SH; Pattaropong, V; Swaminath, G; Wang, X; Yang, K; Yeh, W; Debenedetto, MV; Farrell, RP; Hedley, SJ; Judd, TC; Kayser, F Triazole agonists of the APJ receptor US Patent US10221162 Publication Date 3/5/2019 More Info.:
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:
BDBM269916
Synonyms:
(2S,3R)—N-(4-(4,6-dimethoxy-5-pyrimidinyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(5-fluoro-2-pyrimidinyl)-2-butanesulfonamide and (2R,3S)—N-(4-(4,6-dimethoxy-5-pyrimidinyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(5-fluoro-2-pyrimidinyl)-2-butanesulfonamide | US10058550, Example 449.0 | US10221162, Example 450.0 | US9845310, Example 450.0
Type:
Small organic molecule
Emp. Form.:
C22H24FN9O4S
Mol. Mass.:
529.547
SMILES:
COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,16.17,(2.17,-4.02,;1.08,-5.11,;-.4,-4.71,;-.8,-3.23,;-2.29,-2.83,;-3.38,-3.92,;-2.98,-5.4,;-4.07,-6.49,;-5.56,-6.09,;-1.49,-5.8,;-1.09,-7.29,;.37,-7.77,;1.7,-7,;3.04,-7.77,;2.27,-9.1,;4.37,-8.54,;3.81,-6.43,;3.04,-5.1,;5.35,-6.43,;6.12,-7.77,;6.12,-5.1,;7.66,-5.1,;8.43,-3.76,;7.66,-2.43,;8.43,-1.1,;6.12,-2.43,;5.35,-3.76,;.37,-9.31,;-1.09,-9.78,;-2,-8.54,;-3.54,-8.54,;-4.31,-7.2,;-5.85,-7.2,;-6.62,-8.54,;-5.85,-9.87,;-6.62,-11.2,;-4.31,-9.87,)|
Structure:
