Reaction Details Report a problem with these data
Target
P2X purinoceptor 2/3
Ligand
BDBM319938
Substrate
n/a
Meas. Tech.
Intracellular Calcium Measurement to Assess Antagonist Activity
IC50
39.0±n/a nM
Citation
 Davenport, AJ; Bräuer, N; Fischer, OM; Rotgeri, A; Rottmann, A; Neagoe, I; Nagel, J; Godinho-Coelho, A; Klar, J 1,3-thiazol-2-yl substituted benzamides US Patent  US10202369 Publication Date 2/12/2019 
Target
Name:
P2X purinoceptor 2/3
Synonyms:
P2X2/3 | P2X2/P2X3 heterotrimeric receptor
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
P2X purinoceptor 2
Synonyms:
ATP receptor | P2RX2 | P2RX2_HUMAN | P2X2 | Purinergic receptor | PurinergicP2X2/3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51765.18
Organism:
Homo sapiens (Human)
Description:
PurinergicP2X2/3 0 HUMAN::Q9UBL9
Residue:
471
Sequence:
MAAAQPKYPAGATARRLARGCWSALWDYETPKVIVVRNRRLGVLYRAVQLLILLYFVWYVFIVQKSYQESETGPESSIITKVKGITTSEHKVWDVEEYVKPPEGGSVFSIITRVEATHSQTQGTCPESIRVHNATCLSDADCVAGELDMLGNGLRTGRCVPYYQGPSKTCEVFGWCPVEDGASVSQFLGTMAPNFTILIKNSIHYPKFHFSKGNIADRTDGYLKRCTFHEASDLYCPIFKLGFIVEKAGESFTELAHKGGVIGVIINWDCDLDLPASECNPKYSFRRLDPKHVPASSGYNFRFAKYYKINGTTTRTLIKAYGIRIDVIVHGQAGKFSLIPTIINLATALTSVGVGSFLCDWILLTFMNKNKVYSHKKFDKVCTPSHPSGSWPVTLARVLGQAPPEPGHRSEDQHPSPPSGQEGQQGAECGPAFPPLRPCPISAPSEQMVDTPASEPAQASTPTDPKGLAQL
  
Component 2
Name:
P2X purinoceptor 3
Synonyms:
ATP receptor | Glucocorticoid receptor | P2RX3 | P2RX3_HUMAN | P2X purinoceptor 3 | P2X purinoceptor 3 (P2RX3) | P2X purinoceptor 3 (P2X3) | P2X3 | P2X3 purinoceptor | Purinergic receptor | p2x3 + hsa
Type:
Protein
Mol. Mass.:
44292.02
Organism:
Homo sapiens (Human)
Description:
P56373
Residue:
397
Sequence:
MNCISDFFTYETTKSVVVKSWTIGIINRVVQLLIISYFVGWVFLHEKAYQVRDTAIESSVVTKVKGSGLYANRVMDVSDYVTPPQGTSVFVIITKMIVTENQMQGFCPESEEKYRCVSDSQCGPERLPGGGILTGRCVNYSSVLRTCEIQGWCPTEVDTVETPIMMEAENFTIFIKNSIRFPLFNFEKGNLLPNLTARDMKTCRFHPDKDPFCPILRVGDVVKFAGQDFAKLARTGGVLGIKIGWVCDLDKAWDQCIPKYSFTRLDSVSEKSSVSPGYNFRFAKYYKMENGSEYRTLLKAFGIRFDVLVYGNAGKFNIIPTIISSVAAFTSVGVGTVLCDIILLNFLKGADQYKAKKFEEVNETTLKIAALTNPVYPSDQTTAEKQSTDSGAFSIGH
  
Inhibitor
Name:
BDBM319938
Synonyms:
3-[(2- Methylpyridin- 4-yl)oxy]-5- (5-methyl- 1,3-thiazol-2- yl)-N-{(1R)-1- [6- (trifluorometh- yl)pyridazin- 3- yl]ethyl} benzamide | US10174016, Example 105 | US10202369, Example 105 | US10472354, Example 105
Type:
Small organic molecule
Emp. Form.:
C24H20F3N5O2S
Mol. Mass.:
499.508
SMILES:
C[C@@H](NC(=O)c1cc(Oc2ccnc(C)c2)cc(c1)-c1ncc(C)s1)c1ccc(nn1)C(F)(F)F |r|
Structure:
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