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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01228987

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
SMLPHENYL METHYL SULFONEA,I1D6W0.72
SMLPHENYL METHYL SULFONEA,I1D9I0.72
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.85
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.82
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.82
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.82
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.82
HS7N-oxo-2-(phenylsulfonylamino)ethanamideA3F1A0.78
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.74
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.74
MAJindane-5-sulfonamideA2QOA0.72
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.7
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.78
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.78
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.78
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.78
HS62-[(4-fluorophenyl)sulfonylamino]-
N-oxo-ethanamide
A3F190.74
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
SANSULFANILAMIDEA1AJ00.71
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.7
TSUPARA-TOLUENE SULFONATEA,B1WUW0.7
TSUPARA-TOLUENE SULFONATEA1B0D0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.77
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.73
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.7
BNSHYDROSULFONYLBENZENE11YYY0.74
BNSHYDROSULFONYLBENZENEA1MEM0.74
BNSHYDROSULFONYLBENZENEA,D,E1FH00.74
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.74
PVS(ethenylsulfonyl)benzeneA3BLU0.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.95
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.95
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.95
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.95
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.95
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.95
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.95
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.95
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.75
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.75
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.72