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Target
Adenylate cyclase type 2
Ligand
BDBM50010301
Substrate
n/a
Meas. Tech.
ChEMBL_2380513
IC50
5710±n/a nM
Citation
 Kraina, P; Česnek, M; Tloušťová, E; Mertlíková-Kaiserová, H; Fulton, CJ; Davidson, EK; Smith, BP; Watts, VJ; Janeba, Z Discovery of a potent and selective human AC2 inhibitor based on 7-deazapurine analogues of adefovir. Bioorg Med Chem 95:0 (2023) [PubMed] 
Target
Name:
Adenylate cyclase type 2
Synonyms:
4.6.1.1 | ATP pyrophosphate-lyase 2 | Adenylate cyclase type 2 | Adenylate cyclase type II | Adenylyl cyclase 2 | ADCY2_HUMAN | ADCY2 | KIAA1060
Type:
PROTEIN
Mol. Mass.:
123627.70
Organism:
Human
Description:
ChEMBL_104878
Residue:
1091
Sequence:
MWQEAMRRRRYLRDRSEEAAGGGDGLPRSRDWLYESYYCMSQQHPLIVFLLLIVMGSCLALLAVFFALGLEVEDHVAFLITVPTALAIFFAIFILVCIESVFKKLLRLFSLVIWICLVAMGYLFMCFGGTVSPWDQVSFFLFIIFVVYTMLPFNMRDAIIASVLTSSSHTIVLSVCLSATPGGKEHLVWQILANVIIFICGNLAGAYHKHLMELALQQTYQDTCNCIKSRIKLEFEKRQQERLLLSLLPAHIAMEMKAEIIQRLQGPKAGQMENTNNFHNLYVKRHTNVSILYADIVGFTRLASDCSPGELVHMLNELFGKFDQIAKENECMRIKILGDCYYCVSGLPISLPNHAKNCVKMGLDMCEAIKKVRDATGVDINMRVGVHSGNVLCGVIGLQKWQYDVWSHDVTLANHMEAGGVPGRVHISSVTLEHLNGAYKVEEGDGDIRDPYLKQHLVKTYFVINPKGERRSPQHLFRPRHTLDGAKMRASVRMTRYLESWGAAKPFAHLHHRDSMTTENGKISTTDVPMGQHNFQNRTLRTKSQKKRFEEELNERMIQAIDGINAQKQWLKSEDIQRISLLFYNKVLEKEYRATALPAFKYYVTCACLIFFCIFIVQILVLPKTSVLGISFGAAFLLLAFILFVCFAGQLLQCSKKASPLLMWLLKSSGIIANRPWPRISLTIITTAIILMMAVFNMFFLSDSEETIPPTANTTNTSFSASNNQVAILRAQNLFFLPYFIYSCILGLISCSVFLRVNYELKMLIMMVALVGYNTILLHTHAHVLGDYSQVLFERPGIWKDLKTMGSVSLSIFFITLLVLGRQNEYYCRLDFLWKNKFKKEREEIETMENLNRVLLENVLPAHVAEHFLARSLKNEELYHQSYDCVCVMFASIPDFKEFYTESDVNKEGLECLRLLNEIIADFDDLLSKPKFSGVEKIKTIGSTYMAATGLSAVPSQEHSQEPERQYMHIGTMVEFAFALVGKLDAINKHSFNDFKLRVGINHGPVIAGVIGAQKPQYDIWGNTVNVASRMDSTGVLDKIQVTEETSLVLQTLGYTCTCRGIINVKGKGDLKTYFVNTEMSRSLSQSNVAS
  
Inhibitor
Name:
BDBM50010301
Synonyms:
SKF 83566 | CHEMBL324017 | 8-Bromo-3-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ol(SKF 83566)
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CN1CCc2cc(Br)c(O)cc2C(C1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: