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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018255

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.74
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.71
I4BISOBUTYLBENZENEA184L0.72
BT6benzenethiolA,B,C,D3HSR0.71
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.7
FPRPROPYLBENZENEC1RHK0.74
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.81
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.73
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.72
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.72
NTSNAPHTHALENE TRISULFONATEA1RML0.74
BPSA,B2DE40.87
PVS(ethenylsulfonyl)benzeneA3BLU0.72
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
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.91
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.91
MAJindane-5-sulfonamideA2QOA0.77
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
TSUPARA-TOLUENE SULFONATEA,B1WUW0.99
TSUPARA-TOLUENE SULFONATEA1B0D0.99
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.77
SMLPHENYL METHYL SULFONEA,I1D6W0.76
SMLPHENYL METHYL SULFONEA,I1D9I0.76
MBNTOLUENEA,B3D7O0.76
MBNTOLUENEA,B1R1X0.76
MBNTOLUENEA,B1JLX0.76
MBNTOLUENEA,B,C,D3D170.76
MBNTOLUENEA,B2VRL0.76
MBNTOLUENEA,I2Z3E0.76
MBNTOLUENEA,B1YZI0.76
MBNTOLUENEA,B2DN10.76
MBNTOLUENEA,B3EN10.76
N4BN-BUTYLBENZENEA186L0.74
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
TLD4-methylbenzene-1,2-dithiolA2Z940.82
BNSHYDROSULFONYLBENZENE11YYY0.78
BNSHYDROSULFONYLBENZENEA1MEM0.78
BNSHYDROSULFONYLBENZENEA,D,E1FH00.78
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.78
TOSP-SULFINOTOLUENEH1ETT1
TOSP-SULFINOTOLUENEI4PAD1
TOSP-SULFINOTOLUENEA1EST1
TOSP-SULFINOTOLUENEC,G2CHA1
TOSP-SULFINOTOLUENEE1PPH1
BDBA,B1KE30.71
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.83
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.83
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.83
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.84
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.84
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.84
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.84
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.84
PMSBENZYLSULFINIC ACIDB1PNM0.89
PMSBENZYLSULFINIC ACIDA,B1SH70.89
PMSBENZYLSULFINIC ACIDB,C1BB00.89
PMSBENZYLSULFINIC ACIDA,B1S2N0.89
PMSBENZYLSULFINIC ACIDA,B1WB80.89
PMSBENZYLSULFINIC ACIDA,B,C3CE40.89
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.89
PMSBENZYLSULFINIC ACIDA3H180.89
PMSBENZYLSULFINIC ACIDA3H170.89
PMSBENZYLSULFINIC ACIDA2CBG0.89
PMSBENZYLSULFINIC ACIDA1SUP0.89
PMSBENZYLSULFINIC ACIDA,B1V6C0.89
PMSBENZYLSULFINIC ACIDA,B1WPR0.89
PMSBENZYLSULFINIC ACIDA,B1EQ90.89
PMSBENZYLSULFINIC ACIDA,B1AUR0.89
PMSBENZYLSULFINIC ACIDA1KLT0.89
PMSBENZYLSULFINIC ACIDB,C1CA80.89
PMSBENZYLSULFINIC ACIDA2GKO0.89
PMSBENZYLSULFINIC ACIDB,C,D1BA80.89
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.75