Reaction Details Report a problem with these data
Target
Adenylate cyclase type 1
Ligand
BDBM50001884
Substrate
n/a
Meas. Tech.
ChEMBL_1341454 (CHEMBL3253174)
IC50
1.4±n/a nM
Citation
 Ellefson, CR; Woo, CM; Miller, A; Kehr, JR Synthesis and biological evaluation of some 2-amino-4-aryl-3H-1,5-benzodiazepine analogues of clozapine. J Med Chem 21:952-7 (1978) [PubMed]  Article 
Target
Name:
Adenylate cyclase type 1
Synonyms:
4.6.1.1 | Adcy1 | Adenylate cyclase | Synonyms=Adcy1_predicted
Type:
PROTEIN
Mol. Mass.:
108287.66
Organism:
Rattus norvegicus
Description:
ChEMBL_104763
Residue:
967
Sequence:
MGSAVAEQGVWQLLLVTFVSYALLPVRSLLAIGFGLVVAASHLLVTAALVPAKRPRLWRTLGANALLFFGVNMYGVFVRILTERSQRKAFLQARNCIEDRLRLEDENEKQERLLMSLLPRNVAMEMKEDFLKPPERIFHKIYIQRHDNVSILFADIVGFTGLASQCTAQELVKLLNELFGKFDELATENHCRRIKILGDCYYCVSGLTQPKTDHAHCCVEMGLDMIDTITSVAEATEVDLNMRVGLHTGRVLCGVLGLRKWQYDVWSNDVTLANVMEAAGLPGKVHITKTTLACLNGDYEVEPGHGHERNTFLRTHNIETFFIVPSHRRKIFPGLILSDIKPAKRMKFKTVCYLLVQLMHCRKMFKAEIPFSNVMTCEDDDKRRALRTASEKLRNRSSFSTNVVYTTPGTRVNRYISRLLEARQTELEMADLNFFTLKYKHVEREQKYHQLQDEYFTSAVVLALILATLFGLIYLLVIPQSVAVLLLLVFSICFLVACTLYLHITRVQCFPGCLTIQIRTALCVFIVVLIYSVAQGCVVSCLPWAWSSHSNSSLVVLAAGGRRTVLPALPCESAHHGLLCCLVGTLPLAIFLRVSSLPKMILLSGLTTSYILVLELSGYTKVGGGALSGRSYEPIMAILLFSCTLALHARQVDVRLRLDYLWAAQAEEERDDMERVKLDNKRILFNLLPAHVAQHFLMSNPRNMDLYYQSYSQVGVMFASIPNFNDFYIELDGNNMGVECLRLLNEIIADFDELMDKDFYKDLEKIKTIGSTYMAAVGLAPTAGTRAKKSISSHLSTLADFAIDMFDVLDEINYQSYNDFVLRVGINVGPVVAGVIGARRPQYDIWGNTVNVASRMDSTGVQGRIQVTEEVHRLLNRCSYQFVCRGKVSVKGKGEMLTYFLEGRTDGSSSHSRSLRLERRMFPYGRGGGGQARRPPLCPAAGPPIKPGLSPAPTSQYLSSTAAGKEA
  
Inhibitor
Name:
BDBM50001884
Synonyms:
2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone | 3-Hydroxy-2-phenyl-propionic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester | 3-chloro-6-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine | 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine (Clozapine) | 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine( Clozepine ) | 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Ciozapine) | 8-Chloro-11-(4-methyl-piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine(Clopazine) | 8-chloro-11-(4-methyl-piperazin-1-yl)-10H-dibenzo[b,e][1,4]diazepine | 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine | CHEMBL42 | CHEMBL538973 | CLOZAPINE | CLOZAPINE, 8-CHLORO-11-(4-METHYL-PIPERAZIN-1-YL)-5H-DIBENZO[B,E][1,4]DIAZEPINE | CLOZARIL | HF 1854 | US10167256, Clozapine | US10752588, Compound Clozapine | US11498896, Compound Clozapine
Type:
Small organic molecule
Emp. Form.:
C18H19ClN4
Mol. Mass.:
326.823
SMILES:
CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8|
Structure:
Search PDB for entries with ligand similarity: