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Target
Phosphodiesterase
Ligand
BDBM10847
Substrate
n/a
Meas. Tech.
ChEMBL_155677 (CHEMBL763060)
Ki
77000±n/a nM
Citation
 Novinson, T; Springer, RH; O'Brien, DE; Scholten, MB; Miller, JP; Robins, RK 2-(Alkylthio)-1,2,4-triazolo[1,5-a]pyrimidines as adenosine cyclic 3',5'-monophosphate phosphodiesterase inhibitors with potential as new cardiovascular agents. J Med Chem 25:420-6 (1982) [PubMed]  Article 
Target
Name:
Phosphodiesterase
Synonyms:
Heart phosphodiesterase | Phosphodiesterase 3B
Type:
PROTEIN
Mol. Mass.:
124301.20
Organism:
Bos taurus
Description:
ChEMBL_156453
Residue:
1115
Sequence:
MRRDERDAKAMRSPPPPDGAASPPESVRNGYVKGCVSPLRQDPPRGFFFHLCRFCNVELLLPPPASPQQPRRGSPFSRARLLLGALAAFVLALLLGSGPESWAAGAARLRTLLSVCSQSLSPLFSIACAFFFLTCFLTRTKRGAGPGRSGGGSWWLLALPACCYLGDFLVGQWESWSRGDGDARAPVPHTPPAVAGRWFLVLSCVGLLTLAQPGRLRHSIVVLLFSSFVWWVSFTSLGALPPALRPLLSCLVGGVGCLLALGLDHFFQIREAPQQPQLSSTAEEKVPVIRPRRRSSCVSFGETSGGYYGSCKMFRRPSLPCISREQMILWDWDLKQWYKPHYQISGGGSGVDLSVLNEARNMVSDLLVDPTLPPQVIASLRSISSLMGAFSGSCRPKMNPLTPFPGFYPCSEIEDPAEKGDRKLHKGLNSRNSLPTPHLRRSSGTSGLPPIDQTSPRWERNNGKRPHQEFGILSQGCYLNGPFSSNLLTVPKQRSSSVSLTHHVGLRRAGGLPSMNSPSHGPVSAGSPANRSPIEFPDTAEFLTKPPVILHKSLSSTPNSPDFYQQLRNSDSNLCNSCGHQILKYDSASEPESGTDCHREKSGGEDNTVFSKASFNLTEAQQEVETENRDGRKLLWEGENHLKAAAQNEEQPNIEQEASQDLILIEDYDSLIENMSNWNFQIFELVEKMGEKSGRILSQVVYTLFQDTGLLEIFKIPTLQFMNYFHALENGYRDIPYHNRIHATDVLHAVWYLTTRPIPGLQEIHSDHGAGNETAINPERIAYISSRSCSIPDESYGCLSSNIPALELMALYVAAAMHDYDHPGRTNAFLVATNAPQAVLYNDRSVLENHHAASAWTLYLSRPEYNFLLNLDNVEFKRFRFLVIEAILATDLKKHFDFLAEFNAKANDVNSNGIEWSNENDRLLVCQVCIKLADINGPTKVRDLHLKWTEGIVNEFYEQGDEEANLGLPISPFMDRSSPQLAKLQESFITHIVGPLCNSYDAAGLLPGQWIESEEDDDTESCYEEEDAEELDTEDEEIEDNLNSKPQRRKGRRQIFCQLMHHLTENHKIWKEIIEEEEKCKADGNKLQMENSSLPQGDEIQVIEEADEEEERQLE
  
Inhibitor
Name:
BDBM10847
Synonyms:
1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione | 1,3-dimethyl-7H-purine-2,6-dione | Afonilum | Aminophyllin | Aminophylline | CHEMBL190 | Cardophyllin | Euphylline | Theophy-lline | Theophylline | Theophylline (1,3-dimethylxanthine)
Type:
Small organic molecule
Emp. Form.:
C7H8N4O2
Mol. Mass.:
180.164
SMILES:
Cn1c2nc[nH]c2c(=O)n(C)c1=O
Structure:
Search PDB for entries with ligand similarity: