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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02345078

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.79
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.79
MBNTOLUENEA,B3D7O0.7
MBNTOLUENEA,B1R1X0.7
MBNTOLUENEA,B1JLX0.7
MBNTOLUENEA,B,C,D3D170.7
MBNTOLUENEA,B2VRL0.7
MBNTOLUENEA,I2Z3E0.7
MBNTOLUENEA,B1YZI0.7
MBNTOLUENEA,B2DN10.7
MBNTOLUENEA,B3EN10.7
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.71
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.71
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.71
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.71
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.71
TOSP-SULFINOTOLUENEH1ETT0.82
TOSP-SULFINOTOLUENEI4PAD0.82
TOSP-SULFINOTOLUENEA1EST0.82
TOSP-SULFINOTOLUENEC,G2CHA0.82
TOSP-SULFINOTOLUENEE1PPH0.82
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.87
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.87
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.87
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.87
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.71
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.72
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.72
SMLPHENYL METHYL SULFONEA,I1D6W0.72
SMLPHENYL METHYL SULFONEA,I1D9I0.72
MAJindane-5-sulfonamideA2QOA0.84
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.89
NDT2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-
1-OL
A,B1DFG0.74
HS7N-oxo-2-(phenylsulfonylamino)ethanamideA3F1A0.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
TSUPARA-TOLUENE SULFONATEA,B1WUW0.83
TSUPARA-TOLUENE SULFONATEA1B0D0.83
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.73
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.73
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.74
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.71
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.74
N4BN-BUTYLBENZENEA186L0.71
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.82
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.82
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.82
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.82
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.73
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.73
B2FPHENYLALANINE BORONIC ACIDA,P1P060.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.73
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.73
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.8
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.8
BPSA,B2DE40.74
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.71
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.73
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.73
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.73
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.73
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.85
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.85
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.85
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.85
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.85
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.85
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.85
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.85
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.7
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.71
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.71
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.77
TLD4-methylbenzene-1,2-dithiolA2Z940.76
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.78
BNSHYDROSULFONYLBENZENE11YYY0.74
BNSHYDROSULFONYLBENZENEA1MEM0.74
BNSHYDROSULFONYLBENZENEA,D,E1FH00.74
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.74
PVS(ethenylsulfonyl)benzeneA3BLU0.71
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
FPRPROPYLBENZENEC1RHK0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.73
PMSBENZYLSULFINIC ACIDB1PNM0.75
PMSBENZYLSULFINIC ACIDA,B1SH70.75
PMSBENZYLSULFINIC ACIDB,C1BB00.75
PMSBENZYLSULFINIC ACIDA,B1S2N0.75
PMSBENZYLSULFINIC ACIDA,B1WB80.75
PMSBENZYLSULFINIC ACIDA,B,C3CE40.75
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.75
PMSBENZYLSULFINIC ACIDA3H180.75
PMSBENZYLSULFINIC ACIDA3H170.75
PMSBENZYLSULFINIC ACIDA2CBG0.75
PMSBENZYLSULFINIC ACIDA1SUP0.75
PMSBENZYLSULFINIC ACIDA,B1V6C0.75
PMSBENZYLSULFINIC ACIDA,B1WPR0.75
PMSBENZYLSULFINIC ACIDA,B1EQ90.75
PMSBENZYLSULFINIC ACIDA,B1AUR0.75
PMSBENZYLSULFINIC ACIDA1KLT0.75
PMSBENZYLSULFINIC ACIDB,C1CA80.75
PMSBENZYLSULFINIC ACIDA2GKO0.75
PMSBENZYLSULFINIC ACIDB,C,D1BA80.75
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.71
HS62-[(4-fluorophenyl)sulfonylamino]-
N-oxo-ethanamide
A3F190.7