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Target
Voltage-dependent calcium channel subunit alpha-2/delta-1 [25-1103]
Ligand
BDBM436625
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
<100±n/a nM
Citation
 Cuevas-Cordobés, F; Almansa-Rosales, C Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions US Patent  US10590140 Publication Date 3/17/2020 
Target
Name:
Voltage-dependent calcium channel subunit alpha-2/delta-1 [25-1103]
Synonyms:
CA2D1_HUMAN | CACNA2D1 | CACNL2A | CCHL2A | MHS3 | Voltage-dependent calcium channel subunit alpha-2/delta-1 (aa 25-1103)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
122113.98
Organism:
Homo sapiens (Human)
Description:
aa 25-1103
Residue:
1079
Sequence:
EPFPSAVTIKSWVDKMQEDLVTLAKTASGVNQLVDIYEKYQDLYTVEPNNARQLVEIAARDIEKLLSNRSKALVRLALEAEKVQAAHQWREDFASNEVVYYNAKDDLDPEKNDSEPGSQRIKPVFIEDANFGRQISYQHAAVHIPTDIYEGSTIVLNELNWTSALDEVFKKNREEDPSLLWQVFGSATGLARYYPASPWVDNSRTPNKIDLYDVRRRPWYIQGAASPKDMLILVDVSGSVSGLTLKLIRTSVSEMLETLSDDDFVNVASFNSNAQDVSCFQHLVQANVRNKKVLKDAVNNITAKGITDYKKGFSFAFEQLLNYNVSRANCNKIIMLFTDGGEERAQEIFNKYNKDKKVRVFTFSVGQHNYDRGPIQWMACENKGYYYEIPSIGAIRINTQEYLDVLGRPMVLAGDKAKQVQWTNVYLDALELGLVITGTLPVFNITGQFENKTNLKNQLILGVMGVDVSLEDIKRLTPRFTLCPNGYYFAIDPNGYVLLHPNLQPKPIGVGIPTINLRKRRPNIQNPKSQEPVTLDFLDAELENDIKVEIRNKMIDGESGEKTFRTLVKSQDERYIDKGNRTYTWTPVNGTDYSLALVLPTYSFYYIKAKLEETITQARYSETLKPDNFEESGYTFIAPRDYCNDLKISDNNTEFLLNFNEFIDRKTPNNPSCNADLINRVLLDAGFTNELVQNYWSKQKNIKGVKARFVVTDGGITRVYPKEAGENWQENPETYEDSFYKRSLDNDNYVFTAPYFNKSGPGAYESGIMVSKAVEIYIQGKLLKPAVVGIKIDVNSWIENFTKTSIRDPCAGPVCDCKRNSDVMDCVILDDGGFLLMANHDDYTNQIGRFFGEIDPSLMRHLVNISVYAFNKSYDYQSVCEPGAAPKQGAGHRSAYVPSVADILQIGWWATAAAWSILQQFLLSLTFPRLLEAVEMEDDDFTASLSKQSCITEQTQYFFDNDSKSFSGVLDCGNCSRIFHGEKLMNTNLIFIMVESKGTCPCDTRLLIQAEQTSDGPNPCDMVKQPRYRKGPDVCFDNNVLEDYTDCGGVSGLNPSLWYIIGIQFLLLWLVSGSTHRLL
  
Inhibitor
Name:
BDBM436625
Synonyms:
(S)-6-(2-fluoro-4-(3- (methylamino)-1- (thiophen-2- yl)propoxy)benzyl)-2- methoxy-9-methyl- 6,7,8,9-tetrahydro- 5H-pyrimido[4,5- e][1,4]diazepin-5-one | US10590140, Example 401
Type:
Small organic molecule
Emp. Form.:
C24H28FN5O3S
Mol. Mass.:
485.574
SMILES:
CNCC[C@H](Oc1ccc(CN2CCN(C)c3nc(OC)ncc3C2=O)c(F)c1)c1cccs1 |r|
Structure:
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