Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499516
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
140±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
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:
BDBM499516
Synonyms:
US11020395, Example 100.0 | US11020395, Example 101.0
Type:
Small organic molecule
Emp. Form.:
C19H21ClF2N8O5S
Mol. Mass.:
546.935
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@H]2CC2(F)F)n1-c1c(OC)ncnc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,wD:13.12,(4.76,.83,;3.43,1.6,;3.43,3.14,;2.09,3.91,;2.09,5.45,;.76,3.14,;-.01,1.81,;1.53,1.81,;-.57,3.91,;-1.91,3.14,;-2.38,1.67,;-3.92,1.67,;-4.4,3.14,;-5.94,3.14,;-7.27,3.91,;-7.27,2.37,;-8.76,1.97,;-6.88,.88,;-3.15,4.04,;-3.15,5.58,;-4.49,6.35,;-5.82,5.58,;-7.16,6.35,;-4.49,7.89,;-3.15,8.66,;-1.82,7.89,;-1.82,6.35,;-.49,5.58,;.85,6.35,;4.76,3.91,;6.09,3.14,;7.43,3.91,;7.43,5.45,;8.76,6.22,;6.09,6.22,;4.76,5.45,)|