SMILES for Cholecystokinin

70 SMILES Strings for Cholecystokinin

Compound Name

SMILES String

BDBM81963

CCC(C)C(NC(=O)C(CCCNC(N)=N)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(CCCNC(N)=N)NC(=O)CNC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(N)CCCCN)C(C)CC)C(C)C)C(=O)NC(CO)C(=O)NC(CC(O)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(CC(O)=O)C(=O)NC(C(=O)NC(CCSC)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O)c1ccc(OS(O)(=O)=O)cc1

BDBM50005459

CCCCCN(CCCCC)C(=O)[C@@H](CCC(O)=O)NC(=O)c1ccc(Cl)c(Cl)c1

BDBM81964

CSCCC(NC(=O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)CNC(=O)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(N)=O)NC(=O)CN)C(C)C)C(N)=O

BDBM50005463

CN1c2ccccc2C(=N[C@@H](C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5

BDBM50061220

CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9|

BDBM81962

CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,c:9|

BDBM31995

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

BDBM18137

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N

BDBM2

Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O |r|

BDBM82239

CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)C(NC(=O)C(N)Cc1ccc(OS(O)(=O)=O)cc1)C(C)O)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O

BDBM82237

CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(N)=O |r|

BDBM82245

CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(O)=O)C(=O)NCC(N)=O

BDBM82233

CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(N)=O |r|

BDBM82244

CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(N)=O |r|

BDBM82079

CCCCOC(=O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(O)=O)NC(=O)C(CC(C)C)NC(=O)C(N)Cc1c[nH]c2ccccc12

BDBM82243

CC(C)CC(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(O)=O

BDBM21147

CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

BDBM50007921

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

BDBM82240

CCCC(=O)Nc1nc2N(CNc2c(=O)[nH]1)C1OC2OP([O-])(=O)OC2C1OC(=O)CCC

BDBM82235

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

BDBM82231

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

BDBM82236

CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

BDBM82232

Nc1nc2n(cnc2c(=O)[nH]1)C1OC(COP(O)(=O)OP(O)(O)=O)C(O)C1O

BDBM81822

c1nc2c(n1[C@@H]3[C@H]([C@H]([C@@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N

BDBM81330

Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OP(O)([O-])=O)C(O)C1O |r|

BDBM81791

Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O

BDBM82241

CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OCC(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O

BDBM82230

COCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCOC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

BDBM82238

COCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

BDBM82242

COCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|

BDBM82234

CCCCOC(=O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(N)Cc1c[nH]c2ccccc12)C(C)C

BDBM82304

c1ccc2c(c1)cc(n2CC(=O)O)C(=O)Nc3nc(cs3)c4ccccc4Cl

BDBM82388

CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:9|

BDBM50019808

Cc1nnc2C(Cc3c[nH]c4ccccc34)N=C(c3ccccc3F)c3ccccc3-n12 |t:18|

BDBM82392

OC(=O)CN1c2ccccc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1F |c:12|

BDBM50019252

O=C(NC1N=C(c2ccccc2)c2ccccc2NC1=O)c1cc2ccccc2[nH]1 |t:4|

BDBM82386

Cc1ccc2c(c[nH]c2c1)C(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:16|

BDBM50019274

CC(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O |t:5|

BDBM50060321

CN1c2ccccc2C(=N[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |c:9|

BDBM50000766

CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl

BDBM50019219

OC(=O)CN1c2ccccc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |c:12|

BDBM50019260

Fc1ccccc1C1=NC(NC(=O)c2cc3ccccc3[nH]2)C(=O)Nc2ccccc12 |t:8|

BDBM82387

CN1c2ccc(F)cc2C(=NC(NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |c:10|

BDBM50019202

Clc1ccc2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21|

BDBM82390

Clc1ccc2NC(=O)[C@H](Cc3c[nH]c4ccccc34)N=C(c3ccccc3)c2c1 |t:21|

BDBM82389

CN1c2ccc(Cl)cc2C(=N[C@H](Cc2c[nH]c3ccccc23)C1=O)c1ccccc1 |c:10|

BDBM82391

O=C1Nc2ccccc2C(=N[C@@H]1Cc1c[nH]c2ccccc12)c1ccccc1 |c:10|

BDBM82393

Fc1ccccc1C1=N[C@H](Cc2c[nH]c3ccccc23)C(=O)Nc2ccccc12 |t:8|

BDBM50019777

CC(C)C[C@@H]1N[C@H]2N(C1=O)c1ccccc1[C@@]2(O)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O |r|

BDBM50008673

OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1

BDBM82384

CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OS(O)(=O)=O)cc1)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)OCc1ccccc1

BDBM50014888

CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)c1ccccc1

BDBM82403

CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(O)=O)c1ccccc1 |TLB:25:24:18.19.20:22,THB:15:16:18.19.20:22,20:19:16:21.22.23,20:21:16:18.19.25,25:19:22:16.23.24,(.76,2.29,;.32,.82,;-.11,-.66,;.95,-1.78,;.68,-3.29,;2.03,-4.02,;3.15,-2.96,;4.68,-3.07,;5.55,-1.8,;4.88,-.42,;3.35,-.3,;2.48,-1.57,;1.8,.38,;2.92,1.45,;2.55,2.94,;4.39,1.01,;5.51,2.08,;6.88,2.77,;6.88,4.17,;7.72,5.64,;9.09,4.95,;9.09,3.55,;8.25,2.08,;7.72,2.85,;6.35,3.55,;6.35,4.95,;-1.15,1.25,;-1.52,2.75,;-2.27,.19,;-3.75,.62,;-4.86,-.44,;-6.34,-.01,;-7.45,-1.07,;-7.09,-2.57,;-8.93,-.64,;-10.04,-1.7,;-11.52,-1.27,;-11.89,.23,;-12.64,-2.33,;-4.5,-1.94,;-3.02,-2.37,;-2.65,-3.87,;-3.77,-4.93,;-5.25,-4.5,;-5.61,-3,)|

BDBM82404

COc1cccc(c1)N(C(=O)CNC(=O)c1cccc(CCS(O)(=O)=O)c1)C(=O)N(C)c1ccccc1

BDBM82514

CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)N1CCCCCC1 |c:9|

BDBM50040671

CN1c2ccccc2C(=NC(NC(=O)Nc2cccc(C)c2)C1=O)N1CC2CCC(CC2)C1 |c:9,(7.22,-6.97,;7.67,-8.45,;6.69,-9.39,;5.36,-8.63,;4.02,-9.39,;4.02,-10.93,;5.36,-11.69,;6.71,-10.96,;7.63,-11.85,;9.14,-11.6,;9.86,-10.19,;11.4,-10.21,;12.13,-11.53,;11.35,-12.86,;13.67,-11.57,;14.48,-10.26,;13.72,-8.91,;14.5,-7.6,;16.04,-7.62,;16.81,-8.95,;18.33,-8.98,;16.01,-10.29,;9.18,-8.72,;10.1,-7.49,;7.17,-13.34,;5.55,-13.5,;4.73,-14.54,;5.14,-16.05,;6.65,-16.64,;8.09,-15.8,;7.22,-14.74,;6.1,-14.2,;8.22,-14.23,)|

BDBM50252513

Cc1nc2C(O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12

BDBM22869

CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|

BDBM26948

Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1

BDBM21398

c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F

BDBM82479

CN1CCN(CC1)C1=c2cc(C)sc2=Nc2ccccc2N1 |c:8,15|

BDBM84994

CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21