SMILES for Gag polyprotein

27 SMILES Strings for Gag polyprotein

Compound Name

SMILES String

BDBM517

CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |@:19,@@:9|

BDBM519

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1 |@:16|

BDBM577

CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1 |r|

BDBM36659

CCCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(N)c3c2)C1=O |r|

BDBM36658

CCCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(N)c3c2)C1=O |r|

BDBM50124714

CCCCN1[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2ccc3[nH]nc(N)c3c2)C1=O

BDBM36655

Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(CC4CC4)C3=O)cc12 |r|

BDBM36656

Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(CC4CCC4)C3=O)cc12 |r|

BDBM36657

Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5ccccc5c4)C3=O)cc12 |r|

BDBM36646

Nc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccccc4)C3=O)cc12 |r|

BDBM50273883

[#6]-[#6](-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])=[#6](Cl)-c1ccccc1 |w:2.1,1.0|

BDBM50273850

[#6]-[#6]-1-[#6]-[#6](-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])=[#6](Cl)-c2ccccc-12 |w:4.3,t:9|

BDBM50273854

[#6]-[#8]-[#6]-1=[#6](-[#6]-[#6]-c2ccccc-12)-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |w:12.13,t:2|

BDBM50273848

[#6]-[#8]-c1ccc2-[#6](Cl)=[#6](-[#6]-[#6]-c2c1)-[#6]=[#7]\[#7]=[#6](\[#7])-[#7] |w:13.14,c:7|

BDBM50273847

[#6]-[#8]-c1ccc2-[#6]-[#6]-[#6](-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])=[#6](Cl)-c2c1 |w:9.8,t:14|

BDBM50273849

[#6]-c1cc(-[#6])c2-[#6]-[#6]-[#6](-[#6]=[#7]\[#7]=[#6](\[#7])-[#7])=[#6](Cl)-c2c1 |w:9.8,t:14|

BDBM50273880

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](-[#8]-c2ccccc2)-c2ccccc2-[#6]-[#6]-1 |w:5.5,c:6|

BDBM50273881

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](-c2ccccc2-[#6]-[#6]-1)C(F)(F)F |w:5.5,t:6|

BDBM50273853

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Br)-c2ccccc2-[#6]-[#6]-1 |w:5.5,c:6|

BDBM50273851

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-1 |w:5.5,c:6|

BDBM50253469

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-1 |w:5.5,c:6|

BDBM50273852

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]-1=[#6](Cl)-c2ccccc2-[#6]-[#6]-[#6]-1 |w:5.5,c:6|

BDBM50273882

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-[#6]=[#6](Cl)-c1ccccc1 |w:6.5,4.3|

BDBM50240438

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1ccc2ccccc2c1 |w:5.5|

BDBM50240439

[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1cccc2ccccc12 |w:5.5|

BDBM50450016

[H][C@]12[C@@H](CCC1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CCC(OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r|

BDBM50450015

[H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC=C(c4ccc(cc4)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)NCCN1CCS(=O)(=O)CC1)C(C)=C |r,t:21|