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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00319132

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SM4(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-
1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID
A,B2RCX0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.7
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.7
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.79
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.79
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.79
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2G720.71
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2OPB0.71
PTS(4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-
6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-
2-SULFONAMIDE-7,7-DIOXIDE
A1CIM0.71
VA1{5-[(DIFORMYLAMINO)METHYL]-1-BENZOTHIEN-
2-YL}BORONIC ACID
A,B2I720.74
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.72
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEH,I1C5N0.7
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5R0.7
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5Q0.7
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1O5B0.7
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1C5X0.7
ESI4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINEB1C5W0.7
MTS(4S-TRANS)-4-(METHYLAMINO)-5,6-
DIHYDRO-6-METHYL-4H-THIENO(2,3-
B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
A1CIN0.75
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.71
ESXBENZO[B]THIOPHENE-2-CARBOXAMIDINEA1C5S0.72
ETS(4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-
6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-
2-SULFONAMIDE-7,7-DIOXIDE
A1CIL0.75
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.7
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.7