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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01288311

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,B2I720.7
4MDN-(4-chlorobenzyl)-N-methylbenzene-
1,4-disulfonamide
A,B3DA20.7
ETS(4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-
6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-
2-SULFONAMIDE-7,7-DIOXIDE
A1CIL0.76
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEH,I1C5N0.71
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5R0.71
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5Q0.71
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1O5B0.71
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1C5X0.71
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1C5W0.71
TPDN-(2-THIENYLMETHYL)-2,5-THIOPHENEDISULFONAMIDEA1BNW0.81
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.77
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.74
PTS(4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-
6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-
2-SULFONAMIDE-7,7-DIOXIDE
A1CIM0.81
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.71
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.71
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.71
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.71
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.71
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.74
AL9N-[(4-METHOXYPHENYL)METHYL]2,5-
THIOPHENEDESULFONAMIDE
A1BN40.75
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.74
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.74
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.74
ESXBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5S0.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.72
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.97
MTS(4S-TRANS)-4-(METHYLAMINO)-5,6-
DIHYDRO-6-METHYL-4H-THIENO(2,3-
B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
A1CIN0.77
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.75