Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetVoltage-dependent calcium channel subunit alpha-2/delta-1 [25-1103]
LigandBDBM436509
Substrate/Competitorn/a
Meas. Tech.Binding Assay
Ki 300±n/a nM
Citation Cuevas-Cordobés, FAlmansa-Rosales, C Tetrahydropyrimidodiazepine and dihydropyridodiazepine compounds for treating pain and pain related conditions US Patent US10590140 Publication Date 3/17/2020
More Info.:Get all data from this article,  Assay Method
 
Voltage-dependent calcium channel subunit alpha-2/delta-1 [25-1103]
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:
EPFPSAVTIKSWVDKMQEDLVTLAKTASGVNQLVDIYEKYQDLYTVEPNNARQLVEIAAR
DIEKLLSNRSKALVRLALEAEKVQAAHQWREDFASNEVVYYNAKDDLDPEKNDSEPGSQR
IKPVFIEDANFGRQISYQHAAVHIPTDIYEGSTIVLNELNWTSALDEVFKKNREEDPSLL
WQVFGSATGLARYYPASPWVDNSRTPNKIDLYDVRRRPWYIQGAASPKDMLILVDVSGSV
SGLTLKLIRTSVSEMLETLSDDDFVNVASFNSNAQDVSCFQHLVQANVRNKKVLKDAVNN
ITAKGITDYKKGFSFAFEQLLNYNVSRANCNKIIMLFTDGGEERAQEIFNKYNKDKKVRV
FTFSVGQHNYDRGPIQWMACENKGYYYEIPSIGAIRINTQEYLDVLGRPMVLAGDKAKQV
QWTNVYLDALELGLVITGTLPVFNITGQFENKTNLKNQLILGVMGVDVSLEDIKRLTPRF
TLCPNGYYFAIDPNGYVLLHPNLQPKPIGVGIPTINLRKRRPNIQNPKSQEPVTLDFLDA
ELENDIKVEIRNKMIDGESGEKTFRTLVKSQDERYIDKGNRTYTWTPVNGTDYSLALVLP
TYSFYYIKAKLEETITQARYSETLKPDNFEESGYTFIAPRDYCNDLKISDNNTEFLLNFN
EFIDRKTPNNPSCNADLINRVLLDAGFTNELVQNYWSKQKNIKGVKARFVVTDGGITRVY
PKEAGENWQENPETYEDSFYKRSLDNDNYVFTAPYFNKSGPGAYESGIMVSKAVEIYIQG
KLLKPAVVGIKIDVNSWIENFTKTSIRDPCAGPVCDCKRNSDVMDCVILDDGGFLLMANH
DDYTNQIGRFFGEIDPSLMRHLVNISVYAFNKSYDYQSVCEPGAAPKQGAGHRSAYVPSV
ADILQIGWWATAAAWSILQQFLLSLTFPRLLEAVEMEDDDFTASLSKQSCITEQTQYFFD
NDSKSFSGVLDCGNCSRIFHGEKLMNTNLIFIMVESKGTCPCDTRLLIQAEQTSDGPNPC
DMVKQPRYRKGPDVCFDNNVLEDYTDCGGVSGLNPSLWYIIGIQFLLLWLVSGSTHRLL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM436509
n/a
NameBDBM436509
Synonyms:6-(3-(4- (((cyclopropylmethyl) amino)methyl)-1H- 1,2,3-triazol-1- yl)phenyl)-2- (ethylamino)-9-methyl- 6,7,8,9-tetrahydro-5H- pyrimido[4,5-e] [1,4]diazepin-5-one | US10590140, Example 285
TypeSmall organic molecule
Emp. Form.C23H29N9O
Mol. Mass.447.5361
SMILESCCNc1ncc2c(n1)N(C)CCN(c1cccc(c1)-n1cc(CNCC3CC3)nn1)C2=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: