104 SMILES Strings for Acetylcholine receptor subunit alpha/beta/delta/gamma

Compound Name
SMILES String
C[N@H+]1CCc2cc(c3cc2[C@@H]1Cc4ccc(cc4)Oc5c6c(cc(c5O)OC)CC[N+]([C@@H]6Cc7ccc(c(c7)O3)O)(C)C)OC
CC(=O)C1=CCCC2CCC1N2 |t:3,THB:1:3:11:9.8|
CN1CCC[C@H]1c1cccnc1 |r|
CN1C2CCC1c1cnccc1CC2
Cc1nccc2CCC3CCC(N3)c12
C1CC2NC1CCc1ccncc21
C1CNC(C1)c1cccnc1
CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCCCCCCCCCCN
NCCCNCCCCNCCCNC(=O)[C@H](Cc1cccc(O)c1)NC(=O)CC1CCCCC1
NCCCOCCCCOCCCNC(=O)[C@H](Cc1cccc(O)c1)NC(=O)Cc1ccccc1
NCCCNCCCCNCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1
CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCOCCCCOCCCN
NCCCNCCCCNCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1CCCCC1
NCCCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1CCCCC1
NCCCOCCCCOCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CC1CCCCC1
CCCC(=O)N[C@@H](Cc1cccc(O)c1)C(=O)NCCCNCCCCNCCCN
NCCCNCCCCNCCCNC(=O)[C@H](Cc1cccc(O)c1)NC(=O)Cc1ccccc1
NCCCCCCCCCCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1
CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCCCNCCCN
NCCCOCCCCOCCCNC(=O)[C@H](Cc1cccc(O)c1)NC(=O)CC1CCCCC1
NCCCOCCCCOCCCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1
CCCC(=O)N[C@@H](Cc1cccc(O)c1)C(=O)NCCCCCCCCCCCCN
NCCCCCCCCCCCCNC(=O)[C@H](Cc1cccc(O)c1)NC(=O)Cc1ccccc1
CCCC(=O)N[C@@H](Cc1cccc(O)c1)C(=O)NCCCOCCCCOCCCN
C[N+](C)(C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)C)c1ccccc31
CN(C)Cc1c2Cn3c(Cn2c2ccccc12)c(CN(C)C)c1ccccc31
C[N+](C)(CC=C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)CC=C)c1ccccc31
[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CCN9CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CCN2C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H] |r,c:5,t:24|
[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H]
[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])N6c7ccccc7[C@@]78CC[N+]9(CC=C)CC%10=CCO[C@@]([H])(N%11c%12ccccc%12[C@@]1(CC[N+]2(CC=C)C4)[C@]%11([H])[C@@]35[H])[C@@]([H])([C@]67[H])[C@@]%10([H])C[C@@]89[H]
C[N+](C)(CCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O
C[N+](C)(CCCCCCCCCC[N+](C)(C)Cc1cccc(O)c1O)Cc1cccc(O)c1O
C[N+](C)(C)Cc1cccc(O)c1O
C[N+](C)(C)CCCCCC[N+](C)(C)C
C[C@@H](O)CCCCC[C@@H]1CC[C@H]2CC[C@H](C)N12
C[C@H](O)CCCCC[C@@H]1CC[C@H]2CC[C@H](C)N12
CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCC[C@H](C)O)N12
CCCC[C@@H]1CCC2CCC[C@@H](CCCC)N12
CCCCCCC[C@@H]1CC[C@H]2CC[C@H](C)N12
CCCC[C@@H]1CCC2CCC[C@H](CCCC)N12
CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCC[C@@H](C)O)N12
CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCCC(C)=O)N12
[H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N1)NC(=O)[C@H](C)NC2=O)C(N)=O |r|
O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccoc2c1 |wU:3.2,(27.6,-12.86,;27.61,-14.4,;28.95,-15.16,;30.28,-14.39,;30.27,-12.85,;31.61,-12.08,;32.95,-12.85,;32.94,-14.39,;31.62,-15.16,;30.74,-14.01,;31.56,-13.22,;26.28,-15.18,;26.29,-16.73,;24.94,-17.5,;23.61,-16.73,;22.15,-17.2,;21.24,-15.96,;22.15,-14.71,;23.61,-15.19,;24.94,-14.41,)|
O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1 |wU:3.2,(-5.16,-23.46,;-5.16,-25,;-3.82,-25.76,;-2.49,-24.99,;-2.5,-23.45,;-1.16,-22.68,;.18,-23.45,;.18,-24.99,;-1.15,-25.76,;-2.03,-24.61,;-1.21,-23.81,;-6.49,-25.78,;-7.83,-25.01,;-9.15,-25.79,;-10.62,-25.31,;-11.52,-26.55,;-10.62,-27.8,;-9.16,-27.33,;-7.82,-28.1,;-6.48,-27.33,)|
Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:10.10,TLB:9:10:14.13:16.17,(9.34,-31.61,;10.67,-32.38,;10.67,-33.92,;12,-34.69,;13.35,-33.92,;13.34,-32.37,;12,-31.6,;14.68,-34.69,;16.01,-33.92,;14.68,-36.23,;16.02,-37,;16.46,-35.89,;16.53,-37.53,;15.18,-38.13,;14.9,-39.53,;16.27,-38.89,;17.81,-39.55,;18,-38.17,)|
O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccsc2c1 |wU:3.2,(28.02,-3.67,;28.02,-5.21,;29.36,-5.97,;30.69,-5.19,;30.68,-3.66,;32.02,-2.89,;33.36,-3.65,;33.36,-5.2,;32.03,-5.97,;31.15,-4.82,;31.97,-4.02,;26.69,-5.98,;26.7,-7.54,;25.35,-8.31,;24.02,-7.54,;22.56,-8.01,;21.65,-6.76,;22.56,-5.52,;24.03,-6,;25.35,-5.22,)|
O=C(N[C@H]1CN2CCC1CC2)c1ccc2occc2c1 |wU:3.2,(-3.91,-15.15,;-3.91,-16.69,;-2.57,-17.45,;-1.24,-16.67,;-1.25,-15.14,;.09,-14.37,;1.43,-15.13,;1.43,-16.67,;.1,-17.45,;-.78,-16.3,;.04,-15.5,;-5.24,-17.46,;-5.23,-19.02,;-6.57,-19.79,;-7.91,-19.02,;-9.37,-19.49,;-10.28,-18.24,;-9.37,-17,;-7.9,-17.48,;-6.58,-16.7,)|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1cccc2ccccc12 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(cc1)-c1ccccc1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)-c1ccc2ccccc2c1 |r|
CC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
CC1NC(C)(C)COC1(O)c1cccnc1
CC1NC(C)(C)COC1(O)c1ccccn1
C[C@H]1NC(C)(C)CO[C@]1(O)c1cccc(Cl)c1 |r|
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Br)c1 |r|
C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(C)c1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccccc1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(F)c1 |r|
C[C@@H]1N(C)C(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
CCC[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(Cl)c1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(F)c(F)c1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(C)cc1 |r|
COc1ccc(cc1)[C@]1(O)OCC(C)(C)N[C@H]1C |r|
C[C@H]1[C@@](OCC(N1)(C)C)(c2cccc(c2)Cl)O
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(F)cc1 |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1ccc(Cl)cc1 |r|
COc1cccc(c1)[C@]1(O)OCC(C)(C)N[C@H]1C |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cccc(c1)[N+]([O-])=O |r|
C[C@@H]1NC(C)(C)CO[C@@]1(O)c1cc(F)cc(F)c1 |r|
CC1NC(C)(C)COC1(O)c1cc(Cl)cc(Cl)c1
CC1NC(C)(C)COC1(O)c1ccc(Cl)c(Cl)c1
CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1|
C[N+]1(C)C2CCC1CC(C2)OC(=O)c1c[nH]c2ccccc12 |TLB:10:8:1:4.5|
CN1CCCC1c1cncc(c1)C#C
c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl
CO[C@@H]1CC=C2CCN3CCC4=C(CC(=O)OC4)[C@@]23C1 |t:4,11|
CN1CCC[C@H]1c1cc(C)no1 |r|
CC(c1ccccc1)n1cncc1C(=O)OCCC1(C)N=N1 |c:22|
CCOC(=O)c1cncn1[C@H](C)c2ccccc2
C[C@H](c1ccccc1)n1cncc1C(=O)OCCC1(C)N=N1 |c:22|
[O-][N+](=O)c1ccc2C3CC(CNC3)c2c1
C1C2CNCC1c1ccccc21
C1C2CNCC1c1cc3nccnc3cc21
C1[C@H]2CNC[C@@H]1C3=CC=CC(=O)N3C2
S=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:8.7.9|
Ic1cc(I)c(=O)n2CC3CNCC(C3)c12 |THB:1:15:14:11.12.10|
Brc1ccc(=O)n2CC3CNCC(C3)c12 |TLB:4:6:13:10.11.9,THB:1:14:13:10.11.9|
Ic1ccc2C3CNCC(C3)Cn2c1=O |THB:3:4:10:7.6.8|
Clc1ccc(=O)n2CC3CNCC(C3)c12 |THB:1:14:13:10.11.9|
C[N+]1(C)CC2CC(C1)c1cccc(=O)n1C2 |TLB:9:8:5:1.7.3,THB:12:14:5:1.7.3|
Clc1ccc2C3CNCC(C3)Cn2c1=O |THB:3:4:10:7.6.8|
Clc1cc(Cl)c(=O)n2CC3CNCC(C3)c12 |THB:1:15:14:11.12.10|
Brc1cc(Br)c(=O)n2CC3CNCC(C3)c12 |TLB:5:7:14:11.12.10,THB:1:15:14:11.12.10|
Brc1ccc2C3CNCC(C3)Cn2c1=O |TLB:13:12:10:7.6.8,THB:3:4:10:7.6.8|
[H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1CCCN(C)CC1 |r|
CN1CCCN(CC1)c1cncc(c1)-c1cc(CCO)no1
[H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1C[C@]2([H])C[C@@]1([H])CN2 |r|
[H][C@@]1(CCOC)C[C@@]1([H])c1cncc(c1)N1CCCNCC1 |r|
[H][C@]1(CCOC)C[C@]1([H])c1cncc(c1)N1CCCNCC1 |r|
[H][C@@]1(CCOC)C[C@@]1([H])c1cncc(c1)N1C[C@]2([H])C[C@@]1([H])CN2 |r|
OCCc1cc(on1)-c1cncc(c1)N1CCCNCC1