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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01242788

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.7
4MDN-(4-chlorobenzyl)-N-methylbenzene-
1,4-disulfonamide
A,B3DA20.7
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.93
NDT2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-
1-OL
A,B1DFG0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.77
B2FPHENYLALANINE BORONIC ACIDA,P1P060.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.77
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.77
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.75
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.75
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4D0.72
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4C0.72
WW7N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDEA1MUX0.73
HS7N-oxo-2-(phenylsulfonylamino)ethanamideA3F1A0.74
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.82
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.82
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.74
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.9
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.9
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.9
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.9
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.74
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.74
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.71
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.75
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.86
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.86
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.86
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.86
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.75
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.75
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.7
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.73
TSUPARA-TOLUENE SULFONATEA,B1WUW0.78
TSUPARA-TOLUENE SULFONATEA1B0D0.78
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.89
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.89
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.89
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.89
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.89
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.89
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.89
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.89
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.76
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.76
PRA3-PHENYLPROPYLAMINEA1TNK0.77
PRA3-PHENYLPROPYLAMINEM1UTL0.77
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.72
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.72
PBN4-PHENYLBUTYLAMINEA1TNI0.77
PBN4-PHENYLBUTYLAMINEA1UTP0.77
PMSBENZYLSULFINIC ACIDB1PNM0.7
PMSBENZYLSULFINIC ACIDA,B1SH70.7
PMSBENZYLSULFINIC ACIDB,C1BB00.7
PMSBENZYLSULFINIC ACIDA,B1S2N0.7
PMSBENZYLSULFINIC ACIDA,B1WB80.7
PMSBENZYLSULFINIC ACIDA,B,C3CE40.7
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.7
PMSBENZYLSULFINIC ACIDA3H180.7
PMSBENZYLSULFINIC ACIDA3H170.7
PMSBENZYLSULFINIC ACIDA2CBG0.7
PMSBENZYLSULFINIC ACIDA1SUP0.7
PMSBENZYLSULFINIC ACIDA,B1V6C0.7
PMSBENZYLSULFINIC ACIDA,B1WPR0.7
PMSBENZYLSULFINIC ACIDA,B1EQ90.7
PMSBENZYLSULFINIC ACIDA,B1AUR0.7
PMSBENZYLSULFINIC ACIDA1KLT0.7
PMSBENZYLSULFINIC ACIDB,C1CA80.7
PMSBENZYLSULFINIC ACIDA2GKO0.7
PMSBENZYLSULFINIC ACIDB,C,D1BA80.7
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.74
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.72
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.78
TLD4-methylbenzene-1,2-dithiolA2Z940.71
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.76
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.72
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDA1QGF0.74
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E340.74
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E350.74
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.77
TOSP-SULFINOTOLUENEH1ETT0.77
TOSP-SULFINOTOLUENEI4PAD0.77
TOSP-SULFINOTOLUENEA1EST0.77
TOSP-SULFINOTOLUENEC,G2CHA0.77
TOSP-SULFINOTOLUENEE1PPH0.77
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.76
PEA2-PHENYLETHYLAMINEA1TNJ0.76
PEA2-PHENYLETHYLAMINED,H2HKM0.76
PEA2-PHENYLETHYLAMINEA1UTO0.76
PEA2-PHENYLETHYLAMINEA,B1D6Y0.76
PEA2-PHENYLETHYLAMINEA,B1D6Z0.76
PEA2-PHENYLETHYLAMINEA,B1D6U0.76
PEA2-PHENYLETHYLAMINEA1UTM0.76
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.75
MAJindane-5-sulfonamideA2QOA0.79
BPSA,B2DE40.7
HS62-[(4-fluorophenyl)sulfonylamino]-
N-oxo-ethanamide
A3F190.7
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.77
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.75