BindingDB logo
myBDB logout

45 SMILES Strings for N-type calcium channel subunits alpha 1B (Cav2.2), Beta 3, and Alpha 2 Delta

Compound NameSMILES String
BDBM246307 COc1ccccc1-n1nc(OC2CCN(CC2)C(=O)OC(C)(C)C)cc1-c1ccc(Cl)cc1
BDBM246308 COc1ccccc1-n1nc(OC2CCC(=O)CC2)cc1-c1ccc(Cl)cc1
BDBM246309 COc1ccccc1-n1nc(OC2CCN(CC2)C(C)=O)cc1-c1ccc(Cl)cc1
BDBM246310 COc1ccccc1-n1nc(OC2CCN(CC2)C(=O)N(C)C)cc1-c1ccc(Cl)cc1
BDBM246311 COc1ccccc1-n1nc(OC2CCN(CC2)S(C)(=O)=O)cc1-c1ccc(Cl)cc1
BDBM246312 COc1ccccc1-n1nc(OC2CCOCC2)cc1-c1ccc(Cl)cc1
BDBM246313 COc1ccccc1-n1nc(OC2CCSCC2)cc1-c1ccc(Cl)cc1
BDBM246314 COc1ccccc1-n1nc(OC2CCN(CC(F)(F)F)CC2)cc1-c1ccc(Cl)cc1
BDBM246315 COc1ccccc1-n1nc(OC2CCN(CC2)C(=O)C(F)(F)F)cc1-c1ccc(Cl)cc1
BDBM246316 COc1ccccc1-n1nc(OC2CCS(=O)(=O)CC2)cc1-c1ccc(Cl)cc1
BDBM246317 COc1ccccc1-n1nc(O[C@@H]2CC[C@@H](CC2)NC(=O)OC(C)(C)C)cc1-c1ccc(Cl)cc1 |r,wU:12.12,15.19,(4.95,5.13,;4.18,3.8,;2.64,3.8,;1.87,5.13,;.33,5.13,;-.44,3.8,;.33,2.47,;1.87,2.47,;2.64,1.13,;1.74,-.11,;2.64,-1.36,;2.24,-2.85,;.76,-3.25,;-.33,-2.16,;-1.82,-2.56,;-2.22,-4.04,;-1.13,-5.13,;.36,-4.73,;-3.71,-4.44,;-4.8,-3.35,;-4.4,-1.87,;-6.28,-3.75,;-7.37,-2.66,;-8.46,-1.57,;-6.28,-1.57,;-8.46,-3.75,;4.11,-.88,;4.11,.66,;5.19,1.74,;6.68,1.35,;7.77,2.43,;7.37,3.92,;8.46,5.01,;5.89,4.32,;4.8,3.23,)|
BDBM246318 COc1ccccc1-n1nc(O[C@@H]2CC[C@H](N)CC2)cc1-c1ccc(Cl)cc1 |r,wU:12.12,15.16,(2.57,5.13,;1.8,3.8,;.26,3.8,;-.51,5.13,;-2.05,5.13,;-2.82,3.8,;-2.05,2.47,;-.51,2.47,;.26,1.13,;-.64,-.11,;.26,-1.36,;-.13,-2.85,;-1.62,-3.25,;-2.71,-2.16,;-4.2,-2.56,;-4.6,-4.04,;-6.08,-4.44,;-3.51,-5.13,;-2.02,-4.73,;1.73,-.88,;1.73,.66,;2.82,1.74,;4.31,1.35,;5.39,2.43,;5,3.92,;6.08,5.01,;3.51,4.32,;2.42,3.23,)|
BDBM246319 COc1ccccc1-n1nc(O[C@@H]2CC[C@@H](CC2)NC(=O)C(F)(F)F)cc1-c1ccc(Cl)cc1 |r,wU:12.12,15.19,(4.61,5.19,;3.84,3.85,;2.3,3.85,;1.53,5.19,;-.01,5.19,;-.78,3.85,;-.01,2.52,;1.53,2.52,;2.3,1.18,;1.39,-.06,;2.3,-1.31,;1.9,-2.79,;.41,-3.19,;-.68,-2.1,;-2.17,-2.5,;-2.56,-3.99,;-1.48,-5.08,;.01,-4.68,;-4.05,-4.39,;-5.14,-3.3,;-4.74,-1.81,;-6.63,-3.7,;-8.12,-4.1,;-7.03,-2.21,;-6.23,-5.19,;3.76,-.83,;3.76,.71,;4.85,1.8,;6.34,1.4,;7.43,2.49,;7.03,3.98,;8.12,5.06,;5.54,4.37,;4.45,3.29,)|
BDBM246320 COc1ccccc1-n1nc(OC2CCN(CC2)S(=O)(=O)C(F)(F)F)cc1-c1ccc(Cl)cc1
BDBM246321 COc1ccccc1-n1nc(OC2CCN(CC2)S(=O)(=O)C2CC2)cc1-c1ccc(Cl)cc1
BDBM246322 COc1ccccc1-n1nc(OC2CCC(F)(F)CC2)cc1-c1ccc(Cl)cc1
BDBM246323 CCc1ccccc1-n1nc(OC2CCC3(CC2)OCCO3)cc1-c1ccc(Cl)cc1
BDBM246324 CCc1ccccc1-n1nc(OC2CCN(CC2)C(=O)OC(C)(C)C)cc1-c1ccc(Cl)cc1
BDBM246325 CCc1ccccc1-n1nc(OC2CCN(CC2)S(C)(=O)=O)cc1-c1ccc(Cl)cc1
BDBM246326 CC(C)Oc1ccccc1-n1nc(OC2CCN(CC2)S(C)(=O)=O)cc1-c1ccc(Cl)cc1
BDBM246327 COc1ccccc1-n1nc(OC2CCN(CC2)S(=O)(=O)C(C)C)cc1-c1ccc(Cl)cc1
BDBM246328 COc1ccccc1-n1nc(OC2CN(C2)C(=O)OC(C)(C)C)cc1-c1ccc(Cl)cc1
BDBM246329 COc1ccccc1-n1nc(OC2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(Cl)cc1
BDBM246330 COc1ccccc1-n1nc(OC2CN(C2)S(=O)(=O)C(C)C)cc1-c1ccc(Cl)cc1
BDBM246331 COc1ccccc1-n1nc(OC2CN(C2)S(C)(=O)=O)cc1-c1ccc(Cl)cc1
BDBM246332 COc1ccccc1-n1nc(OC2CN(C2)C(=O)c2ccccc2)cc1-c1ccc(Cl)cc1
BDBM246333 CC(C)Oc1ccccc1-n1nc(OC2CCN(CC2)S(=O)(=O)C(C)C)cc1-c1ccc(Cl)cc1
BDBM246334 CON(C)C(=O)N1CC(C1)Oc1cc(-c2ccc(Cl)cc2)n(n1)-c1ccccc1OC
BDBM246335 COc1ccccc1-n1nc(OC2CN(C2)S(=O)(=O)c2c(C)noc2C)cc1-c1ccc(Cl)cc1
BDBM246336 COc1ccc(cc1)-c1cc(OC2CC(C)(C)OC(C)(C)C2)nn1-c1ccccc1OC
BDBM246337 COc1ccc(cc1)-c1cc(OC2CC(C)(C)SC(C)(C)C2)nn1-c1ccccc1OC
BDBM246338 COc1ccc(cc1)-c1cc(OC2CC(C)(C)S(=O)(=O)C(C)(C)C2)nn1-c1ccccc1OC
BDBM246340 COc1ccc(cc1)-c1cc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)nn1-c1ccccc1OC |r,wU:17.18,(-6.83,4.93,;-5.34,5.33,;-4.25,4.24,;-2.76,4.63,;-1.68,3.55,;-2.07,2.06,;-3.56,1.66,;-4.65,2.75,;-.99,.97,;-.99,-.57,;.48,-1.05,;.88,-2.53,;2.37,-2.93,;2.76,-4.42,;4.25,-4.82,;2.76,-5.22,;3.16,-5.91,;5.34,-3.73,;6.83,-3.33,;4.94,-2.24,;5.34,-.75,;6.43,-1.84,;3.45,-1.84,;1.38,.2,;.48,1.45,;.88,2.93,;-.21,4.02,;.19,5.51,;1.68,5.91,;2.76,4.82,;2.37,3.33,;3.45,2.24,;3.06,.75,)|
BDBM246341 COc1ccccc1-n1nc(OC2CC(C)(C)SC(C)(C)C2)cc1-c1ccc(Cl)cc1
BDBM246342 COc1ccccc1-n1nc(OC2CC(C)(C)S(=O)(=O)C(C)(C)C2)cc1-c1ccc(Cl)cc1
BDBM246343 COc1ccccc1-n1nc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)cc1-c1ccc(Cl)cc1 |r,wU:17.18,(2.27,6.3,;1.5,4.97,;-.04,4.97,;-.81,6.3,;-2.35,6.3,;-3.12,4.97,;-2.35,3.63,;-.81,3.63,;-.04,2.3,;-.95,1.05,;-.04,-.19,;-.44,-1.68,;-1.78,-2.45,;-3.11,-1.68,;-4.44,-2.45,;-5.78,-1.68,;-5.21,-1.12,;-4.44,-3.99,;-5.78,-4.76,;-3.11,-4.76,;-3.11,-6.3,;-1.78,-5.53,;-1.78,-3.99,;1.42,.28,;1.42,1.82,;2.51,2.91,;4,2.51,;5.09,3.6,;4.69,5.09,;5.78,6.18,;3.2,5.49,;2.11,4.4,)|
BDBM246345 COc1ccccc1-n1nc(OCC2C(C)(C)OC2(C)C)cc1-c1ccc(Cl)cc1
BDBM246346 COc1ccccc1-n1nc(OC2CC(C)(C)C(=O)C(C)(C)C2)cc1-c1ccc(Cl)cc1
BDBM246347 COc1ccccc1-n1nc(OC2CC(C)(C)C(O)C(C)(C)C2)cc1-c1ccc(Cl)cc1 |(2.57,5.88,;1.8,4.54,;.26,4.54,;-.51,5.88,;-2.05,5.88,;-2.82,4.54,;-2.05,3.21,;-.51,3.21,;.26,1.88,;-.64,.63,;.26,-.62,;-.13,-2.1,;-1.62,-2.5,;-2.02,-3.99,;-3.51,-4.39,;-4.6,-5.48,;-3.11,-5.88,;-4.6,-3.3,;-6.08,-3.7,;-4.2,-1.81,;-5.69,-2.21,;-4.6,-.32,;-2.71,-1.41,;1.73,-.14,;1.73,1.4,;2.82,2.49,;4.31,2.09,;5.39,3.18,;5,4.67,;6.08,5.76,;3.51,5.06,;2.42,3.98,)|
BDBM246348 COc1ccccc1-n1nc(OC2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(cc1)C#N
BDBM246349 COc1ccccc1-n1nc(OC2CC(C)(C)SC(C)(C)C2)cc1-c1ccc(cc1)C#N
BDBM246350 COc1ccccc1-n1nc(OC2CC(C)(C)S(=O)(=O)C(C)(C)C2)cc1-c1ccc(cc1)C#N
BDBM246351 COc1ccccc1-n1nc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)cc1-c1ccc(cc1)C#N |r,wU:17.18,(3.06,1.12,;3.46,2.61,;2.37,3.7,;2.77,5.19,;1.68,6.28,;.19,5.88,;-.21,4.39,;.88,3.3,;.48,1.82,;1.39,.57,;.48,-.68,;.88,-2.16,;2.22,-2.93,;2.22,-4.47,;3.55,-5.24,;3.55,-6.78,;2.22,-6.01,;4.88,-4.47,;6.22,-5.24,;4.88,-2.93,;6.42,-2.93,;5.65,-1.6,;3.55,-2.16,;-.98,-.2,;-.98,1.34,;-2.07,2.43,;-1.67,3.92,;-2.76,5,;-4.29,4.65,;-4.65,3.12,;-3.56,2.03,;-5.37,5.73,;-6.46,6.82,)|
BDBM246344 COc1ccccc1-n1nc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)cc1-c1ccc(Cl)cc1 |r,wD:17.18,(2.27,6.3,;1.5,4.97,;-.04,4.97,;-.81,6.3,;-2.35,6.3,;-3.12,4.97,;-2.35,3.63,;-.81,3.63,;-.04,2.3,;-.95,1.05,;-.04,-.19,;-.44,-1.68,;-1.78,-2.45,;-1.78,-3.99,;-3.11,-4.76,;-3.11,-6.3,;-1.78,-5.53,;-4.44,-3.99,;-5.78,-4.76,;-4.44,-2.45,;-5.78,-1.68,;-5.21,-1.12,;-3.11,-1.68,;1.42,.28,;1.42,1.82,;2.51,2.91,;4,2.51,;5.09,3.6,;4.69,5.09,;5.78,6.18,;3.2,5.49,;2.11,4.4,)|
BDBM246339 COc1ccc(cc1)-c1cc(OC2CC(C)(C)[S@+]([O-])C(C)(C)C2)nn1-c1ccccc1OC |r,wU:17.18,(-6.62,5.55,;-5.14,5.95,;-4.05,4.86,;-2.56,5.26,;-1.47,4.17,;-1.87,2.68,;-3.36,2.28,;-4.45,3.37,;-.78,1.59,;-.78,.05,;.68,-.42,;1.08,-1.91,;2.42,-2.68,;2.42,-4.22,;3.75,-4.99,;3.75,-6.53,;2.42,-5.76,;5.08,-4.22,;6.42,-4.99,;5.08,-2.68,;6.62,-2.68,;5.85,-1.35,;3.75,-1.91,;1.59,.82,;.68,2.07,;1.08,3.56,;-.01,4.64,;.39,6.13,;1.88,6.53,;2.97,5.44,;2.57,3.95,;3.66,2.87,;3.26,1.38,)|