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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03786588

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MAJindane-5-sulfonamideA2QOA0.75
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.7
FBA4-FLUOROBENZYLAMINEA1TNH0.7
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.92
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.94
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.94
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.94
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.94
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.72
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.74
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.72
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.72
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.72
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.76
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.76
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.71
TSUPARA-TOLUENE SULFONATEA,B1WUW0.82
TSUPARA-TOLUENE SULFONATEA1B0D0.82
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.74
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.74
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.7
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.79
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.79
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.79
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.79
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.79
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.79
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.79
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.79
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.99
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.99
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.99
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.99
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.74
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.8
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.8
TOSP-SULFINOTOLUENEH1ETT0.81
TOSP-SULFINOTOLUENEI4PAD0.81
TOSP-SULFINOTOLUENEA1EST0.81
TOSP-SULFINOTOLUENEC,G2CHA0.81
TOSP-SULFINOTOLUENEE1PPH0.81
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.76
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.76
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.8
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.8
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.76
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.76
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.76
ABNBENZYLAMINED,H2HXC0.73
ABNBENZYLAMINEA,I1A860.73
ABNBENZYLAMINEA1UTN0.73
ABNBENZYLAMINEA1N6X0.73
ABNBENZYLAMINEA2BZA0.73
ABNBENZYLAMINEA2EUS0.73
ABNBENZYLAMINEA1N6Y0.73
ABNBENZYLAMINEA1UTJ0.73
PRA3-PHENYLPROPYLAMINEA1TNK0.78
PRA3-PHENYLPROPYLAMINEM1UTL0.78
PBN4-PHENYLBUTYLAMINEA1TNI0.78
PBN4-PHENYLBUTYLAMINEA1UTP0.78
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.74
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.72
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.72
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.72
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.72
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.72
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.72
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.71
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.71
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.71
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.72
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.76
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.76
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.79
PEA2-PHENYLETHYLAMINEA1TNJ0.79
PEA2-PHENYLETHYLAMINED,H2HKM0.79
PEA2-PHENYLETHYLAMINEA1UTO0.79
PEA2-PHENYLETHYLAMINEA,B1D6Y0.79
PEA2-PHENYLETHYLAMINEA,B1D6Z0.79
PEA2-PHENYLETHYLAMINEA,B1D6U0.79
PEA2-PHENYLETHYLAMINEA1UTM0.79
PMSBENZYLSULFINIC ACIDB1PNM0.74
PMSBENZYLSULFINIC ACIDA,B1SH70.74
PMSBENZYLSULFINIC ACIDB,C1BB00.74
PMSBENZYLSULFINIC ACIDA,B1S2N0.74
PMSBENZYLSULFINIC ACIDA,B1WB80.74
PMSBENZYLSULFINIC ACIDA,B,C3CE40.74
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.74
PMSBENZYLSULFINIC ACIDA3H180.74
PMSBENZYLSULFINIC ACIDA3H170.74
PMSBENZYLSULFINIC ACIDA2CBG0.74
PMSBENZYLSULFINIC ACIDA1SUP0.74
PMSBENZYLSULFINIC ACIDA,B1V6C0.74
PMSBENZYLSULFINIC ACIDA,B1WPR0.74
PMSBENZYLSULFINIC ACIDA,B1EQ90.74
PMSBENZYLSULFINIC ACIDA,B1AUR0.74
PMSBENZYLSULFINIC ACIDA1KLT0.74
PMSBENZYLSULFINIC ACIDB,C1CA80.74
PMSBENZYLSULFINIC ACIDA2GKO0.74
PMSBENZYLSULFINIC ACIDB,C,D1BA80.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.83
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.83
B2FPHENYLALANINE BORONIC ACIDA,P1P060.83
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.83
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.83
BPSA,B2DE40.77
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.76
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.72
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.74
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.7