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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01443283

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.75
FBU3,5-DIFLUOROBENZENESULFONAMIDEA1IF60.7
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.72
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.72
MAJindane-5-sulfonamideA2QOA0.73
FBT2,6-DIFLUOROBENZENESULFONAMIDEA1IF50.7
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
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.76
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.76
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
WW7N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDEA1MUX0.75
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.71
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.79
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.79
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.79
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.79
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.79
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.79
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.79
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.79
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.75
B2FPHENYLALANINE BORONIC ACIDA,P1P060.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.75
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.75
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
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.71
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.71
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.7
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.75
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.74
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
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.77
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2G720.7
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2OPB0.7
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.72
BPSA,B2DE40.7
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.88