Reaction Details Report a problem with these data
Target
Guanylate cyclase soluble subunit alpha-1
Ligand
BDBM280844
Substrate
n/a
Meas. Tech.
sGC Binding Assay
pH
7.4±n/a
Ki
0.077±n/a nM
Comments
extracted
Citation
 Berger, R; Chen, Y; Li, G; Garfunkle, J; Li, H; Miao, S; Raghavan, S; Smith, CJ; Stelmach, J; Whitehead, A; Zhang, R; Zhang, Y; Fu, J; Ji, G; Jiang, F Soluble guanylate cyclase stimulators US Patent  US10030027 Publication Date 7/24/2018 
Target
Name:
Guanylate cyclase soluble subunit alpha-1
Synonyms:
GCS-alpha-1 | GCS-alpha-3 | GCYA1_HUMAN | GUC1A3 | GUCSA3 | GUCY1A1 | GUCY1A3 | Guanylate cyclase soluble (GCS-alpha-1) | Guanylate cyclase soluble subunit alpha-3 | Solube guanylate cyclase alpha-1 (sGC alpha-1) | Solube guanylate cyclase alpha-1 (sGCalpha) | soluble guanylate cyclase alpha-1 (sGC)
Type:
Enzyme
Mol. Mass.:
77457.21
Organism:
Homo sapiens (Human)
Description:
Q02108
Residue:
690
Sequence:
MFCTKLKDLKITGECPFSLLAPGQVPNESSEEAAGSSESCKATVPICQDIPEKNIQESLPQRKTSRSRVYLHTLAESICKLIFPEFERLNVALQRTLAKHKIKESRKSLEREDFEKTIAEQAVAAGVPVEVIKESLGEEVFKICYEEDENILGVVGGTLKDFLNSFSTLLKQSSHCQEAGKRGRLEDASILCLDKEDDFLHVYYFFPKRTTSLILPGIIKAAAHVLYETEVEVSLMPPCFHNDCSEFVNQPYLLYSVHMKSTKPSLSPSKPQSSLVIPTSLFCKTFPFHFMFDKDMTILQFGNGIRRLMNRRDFQGKPNFEEYFEILTPKINQTFSGIMTMLNMQFVVRVRRWDNSVKKSSRVMDLKGQMIYIVESSAILFLGSPCVDRLEDFTGRGLYLSDIPIHNALRDVVLIGEQARAQDGLKKRLGKLKATLEQAHQALEEEKKKTVDLLCSIFPCEVAQQLWQGQVVQAKKFSNVTMLFSDIVGFTAICSQCSPLQVITMLNALYTRFDQQCGELDVYKVETIGDAYCVAGGLHKESDTHAVQIALMALKMMELSDEVMSPHGEPIKMRIGLHSGSVFAGVVGVKMPRYCLFGNNVTLANKFESCSVPRKINVSPTTYRLLKDCPGFVFTPRSREELPPNFPSEIPGICHFLDAYQQGTNSKPCFQKKDVEDGNANFLGKASGID
  
Inhibitor
Name:
BDBM280844
Synonyms:
3-{2-[4-amino-5-methyl- 2-{1-[4- methylcyclohexylmethyl]- 1H-pyrazolo[3,4- b]pyridin-3-yl}-6-oxo-6,7- dihydro-5H-pyrrolo[2,3- d]pyrimidin-5-yl]-1,3- oxazol-4-yl}-2,2- dimethylpropanoic acid | US10030027, Example 126AA | US10030027, Example 126AB | US10428076, Example 126AB
Type:
Small organic molecule
Emp. Form.:
C29H34N8O4
Mol. Mass.:
558.6315
SMILES:
CC1CCC(Cn2nc(-c3nc4NC(=O)C(C)(c5nc(CC(C)(C)C(O)=O)co5)c4c(N)n3)c3cccnc23)CC1 |(-2.14,-7.53,;-3.23,-6.44,;-4.71,-6.84,;-5.8,-5.75,;-5.4,-4.26,;-6.49,-3.17,;-6.1,-1.69,;-4.63,-1.21,;-4.63,.33,;-3.3,1.1,;-1.96,.33,;-.63,1.1,;.83,.62,;1.74,1.87,;3.28,1.87,;.83,3.12,;.06,4.45,;2.17,3.89,;3.63,3.41,;4.54,4.66,;6.08,4.66,;6.85,5.99,;6.85,7.53,;5.51,6.76,;8.39,5.99,;9.16,7.32,;9.16,4.66,;3.63,5.9,;2.17,5.43,;-.63,2.64,;-1.96,3.41,;-1.96,4.95,;-3.3,2.64,;-6.1,.81,;-6.72,2.21,;-8.25,2.37,;-9.16,1.13,;-8.53,-.28,;-7,-.44,;-3.92,-3.86,;-2.83,-4.95,)|
Structure:
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