Submission Details
Molecule(s):
O=C(CCl)N1CC2CC1CN2S(=O)(=O)c1cccs1
O=C(CCl)N1CC2CC1CN2S(=O)(=O)c1cccc(F)c1
Cc1cccc(CN2CC3CC2CN3C(=O)CCl)c1
Cc1ccc(C(=O)N2CC3CC2CN3C(=O)CCl)cc1
Cc1ccc(S(=O)(=O)N2CC3CC2CN3C(=O)CCl)cc1
O=C(CCl)N1CC2CC1CN2c1ccccc1[N+](=O)[O-]
O=C(CCl)N1CC2CC1CN2C(=O)c1ccco1
O=C(CCl)N1CC2CC(c3nc4ccccc4s3)C1C2
O=C(CCl)N1CC2CC1CN2S(=O)(=O)c1c(F)cccc1F
O=C(CCl)N1CC2CC1C(c1ccc(F)cc1)O2
O=C(CCl)N1CC2CC1CN2S(=O)(=O)c1ccccc1F
Cc1ccc(S(=O)(=O)N2CC3CC2CN3C(=O)CCl)c(C)c1
N#Cc1ccccc1S(=O)(=O)N1CC2CC1CN2C(=O)CCl
O=C(CCl)N1CC2CC1CN2Cc1cccc2ccccc12
O=C(CCl)N1CC2CC1CN2S(=O)(=O)c1ccc(Cl)cc1
O=C(CCl)N1CC2CC1CN2Cc1ccc(Cl)s1
Cc1ccc(C)c(S(=O)(=O)N2CC3CC2CN3C(=O)CCl)c1
O=C(NC1CC2CC1CN2C(=O)CCl)c1ccccc1
O=C(Nc1ccccc1O)C1CC2CC1CN2C(=O)CCl
O=C(C1CC2CC1CN2C(=O)CCl)N1CCCCC1
O=C(CCl)N1CC2CC1CN2Cc1ccc(Br)s1
O=C(CCl)N1CC2CC1CN2Cc1ccsc1
O=C(CCl)N1CC2(c3ccccc3)CC1c1ccccc12
O=C(CCl)N1CC2CC1CN2S(=O)(=O)c1ccc(Cl)s1
O=C(CCl)N1CC2CC1CN2C(=O)c1cccs1
O=C(CCl)N1CC2CC1CN2Cc1cccs1
COc1ccc(N2CC3CC2CN3C(=O)CCl)cc1
CC(C)N(C)C(=O)C1CC2CC1CN2C(=O)CCl
CC(=O)N1CC2CC1CN2C(=O)CCl
Design Rationale:
inspired by DAN-LON-a5fc619e-8 (transformation from x0770 into x3077), docking in SeeSAR 9.2 finds acceptable poses