Reaction Details |
| Report a problem with these data |
Target | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A |
---|
Ligand | BDBM97517 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | PDE10A assay |
---|
IC50 | 1.24±n/a nM |
---|
Citation | Tosstorff, A; Rudolph, MG; Cole, JC; Reutlinger, M; Kramer, C; Schaffhauser, H; Nilly, A; Flohr, A; Kuhn, B A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J Comput Aided Mol Des36:753-765 (2022) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A |
---|
Name: | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A |
Synonyms: | 3',5'-cyclic phosphodiesterase | 3.1.4.17 | PDE10A | PDE10_HUMAN | Phosphodiesterase 10 (PDE10) | Phosphodiesterase 10A |
Type: | Protein |
Mol. Mass.: | 88412.52 |
Organism: | Homo sapiens (Human) |
Description: | Q9Y233 |
Residue: | 1055 |
Sequence: | MASLEEPLAPRPQGPLPAAGDEPGCGPGKLRPEPRLSAAGGGSAAGPGPAPEWPGRGRAE
RAAPPRPPLSSAGRPSPAGGPGALSARGGGCGWVAARAPLALAFSSRVPSSSPSFFYFWP
PPPPPPPSFLPSSSAFHLPVRLPGREGAAAAAAAGGGGDAGGGGGGGQEAAPLSVPTSSS
HRGGGGSGGGRRRLFLSPALQGLLLPARAGPRPPPPPRLPLGQAARRAGSPGFPGAGPGG
GGQTPRRPQGASFALAAAAALLFGSDMEDGPSNNASCFRRLTECFLSPSLTDEKVKAYLS
LHPQVLDEFVSESVSAETVEKWLKRKNNKSEDESAPKEVSRYQDTNMQGVVYELNSYIEQ
RLDTGGDNQLLLYELSSIIKIATKADGFALYFLGECNNSLCIFTPPGIKEGKPRLIPAGP
ITQGTTVSAYVAKSRKTLLVEDILGDERFPRGTGLESGTRIQSVLCLPIVTAIGDLIGIL
ELYRHWGKEAFCLSHQEVATANLAWASVAIHQVQVCRGLAKQTELNDFLLDVSKTYFDNI
VAIDSLLEHIMIYAKNLVNADRCALFQVDHKNKELYSDLFDIGEEKEGKPVFKKTKEIRF
SIEKGIAGQVARTGEVLNIPDAYADPRFNREVDLYTGYTTRNILCMPIVSRGSVIGVVQM
VNKISGSAFSKTDENNFKMFAVFCALALHCANMYHRIRHSECIYRVTMEKLSYHSICTSE
EWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMS
VKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSY
LQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATD
LALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYA
EFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKA
CRDNLSQWEKVIRGEETATWISSPSVAQKAAASED
|
|
|
BDBM97517 |
---|
n/a |
---|
Name | BDBM97517 |
Synonyms: | Roche-Dataset for PDE10A, Compound 44 | US8470820, 28 |
Type | Small organic molecule |
Emp. Form. | C25H26N8O |
Mol. Mass. | 454.5269 |
SMILES | CC(C)Cn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)-c1ccccn1 |
Structure |
|