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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01398749

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.76
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.78
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.78
NTSNAPHTHALENE TRISULFONATEA1RML0.7
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.74
PEA2-PHENYLETHYLAMINEA1TNJ0.74
PEA2-PHENYLETHYLAMINED,H2HKM0.74
PEA2-PHENYLETHYLAMINEA1UTO0.74
PEA2-PHENYLETHYLAMINEA,B1D6Y0.74
PEA2-PHENYLETHYLAMINEA,B1D6Z0.74
PEA2-PHENYLETHYLAMINEA,B1D6U0.74
PEA2-PHENYLETHYLAMINEA1UTM0.74
C3MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
B,I2C8Y0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.88
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.88
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.88
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.88
MAJindane-5-sulfonamideA2QOA0.84
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.81
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.81
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.74
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.91
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.73
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.73
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.73
WW7N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDEA1MUX0.77
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.75
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.75
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.76
BPSA,B2DE40.71
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.75
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.84
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.84
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.84
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.84
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.84
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.84
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.84
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.84
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.72
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.72
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.71
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.72
TOSP-SULFINOTOLUENEH1ETT0.74
TOSP-SULFINOTOLUENEI4PAD0.74
TOSP-SULFINOTOLUENEA1EST0.74
TOSP-SULFINOTOLUENEC,G2CHA0.74
TOSP-SULFINOTOLUENEE1PPH0.74
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.8
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
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.74
PRA3-PHENYLPROPYLAMINEA1TNK0.75
PRA3-PHENYLPROPYLAMINEM1UTL0.75
NDT2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-
1-OL
A,B1DFG0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.75
PBN4-PHENYLBUTYLAMINEA1UTP0.75
HS7N-oxo-2-(phenylsulfonylamino)ethanamideA3F1A0.71
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.78
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.76
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.76
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.77
TSUPARA-TOLUENE SULFONATEA,B1WUW0.75
TSUPARA-TOLUENE SULFONATEA1B0D0.75
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2G720.72
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2OPB0.72
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDA1QGF0.73
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E340.73
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E350.73
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.84
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.84
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.84
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.84
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.7