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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03063347

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VA1{5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-
2-YL}BORONIC ACID
A,B2I720.78
ETS(4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-
6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-
2-SULFONAMIDE-7,7-DIOXIDE
A1CIL0.71
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.71
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.75
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.75
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.75
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B3FKV0.71
BZBBENZO[B]THIOPHENE-2-BORONIC ACIDA,B1C3B0.71
ESXBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5S0.77
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEH,I1C5N0.75
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5R0.75
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5Q0.75
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1O5B0.75
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1C5X0.75
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1C5W0.75