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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01528865

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.72
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.7
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.7
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.71
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.93
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.79
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.8
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.71
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.73
TSUPARA-TOLUENE SULFONATEA,B1WUW0.71
TSUPARA-TOLUENE SULFONATEA1B0D0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.73
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.8
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.8
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.8
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.8
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.8
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.8
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.8
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.8
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.75
PEA2-PHENYLETHYLAMINEA1TNJ0.75
PEA2-PHENYLETHYLAMINED,H2HKM0.75
PEA2-PHENYLETHYLAMINEA1UTO0.75
PEA2-PHENYLETHYLAMINEA,B1D6Y0.75
PEA2-PHENYLETHYLAMINEA,B1D6Z0.75
PEA2-PHENYLETHYLAMINEA,B1D6U0.75
PEA2-PHENYLETHYLAMINEA1UTM0.75
MAJindane-5-sulfonamideA2QOA0.74
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.78
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.78
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.83
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.83
4MDN-(4-chlorobenzyl)-N-methylbenzene-
1,4-disulfonamide
A,B3DA20.75
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.75
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.72
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.75
SANSULFANILAMIDEA1AJ00.74
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.76
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.75
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.75
PTS(4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-
6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-
2-SULFONAMIDE-7,7-DIOXIDE
A1CIM0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.72
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.71
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
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.72
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.74
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.75
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.7
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.7
G0GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-
BENZYLBENZENESULFONAMIDE)
A,B2PQZ0.75
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2G720.75
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2OPB0.75
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4D0.71
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4C0.71
C3MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
B,I2C8Y0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.76
B2FPHENYLALANINE BORONIC ACIDA,P1P060.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.76
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.76
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.82
271N-methyl-1-phenylmethanamineX2RBT0.73
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.72
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.78
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.78
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.75
BZZBENZYLHYDRAZINEA,B2E2V0.71
QN2N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-
(4-iodobenzyl)benzenesulfonamide]
A,B2QNP0.72
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.77
PHMPHENYLALANYLMETHANEA,I1PJP0.7
PHMPHENYLALANYLMETHANEA,B,C2J9J0.7
PHMPHENYLALANYLMETHANEA,B,C2JE40.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.85
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.85
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.85
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.85
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.71
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.71
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.71
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE
A1VSN0.72
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.7
WW7N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDEA1MUX0.71
TOSP-SULFINOTOLUENEH1ETT0.7
TOSP-SULFINOTOLUENEI4PAD0.7
TOSP-SULFINOTOLUENEA1EST0.7
TOSP-SULFINOTOLUENEC,G2CHA0.7
TOSP-SULFINOTOLUENEE1PPH0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.89
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.89
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.89
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.89
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.77
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74