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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00840177

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HS7N-oxo-2-(phenylsulfonylamino)ethanamideA3F1A0.73
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.83
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.83
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.83
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.83
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.83
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.83
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.83
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.83
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
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.75
DP4TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-
N-OXIDE
A,B,C,D,E,F,
G,H
1ND00.76
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.74
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.73
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.73
PVS(ethenylsulfonyl)benzeneA3BLU0.72
OSPSULTHIAMEA2Q1Q0.74
SMLPHENYL METHYL SULFONEA,I1D6W0.71
SMLPHENYL METHYL SULFONEA,I1D9I0.71
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.72
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.75
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.73
BNSHYDROSULFONYLBENZENE11YYY0.75
BNSHYDROSULFONYLBENZENEA1MEM0.75
BNSHYDROSULFONYLBENZENEA,D,E1FH00.75
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.75