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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02946457

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NTSNAPHTHALENE TRISULFONATEA1RML0.77
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.76
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.76
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.7
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.7
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.79
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.79
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.79
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.79
AQSN,N-BIS(3-AMINOPROPYL)-2-ANTHRAQUINONESULFONAMIDEA386D0.72
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.85
WW7N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDEA1MUX0.85
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.71
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2G720.71
F21(3R)-3-(FLUOROMETHYL)-7-(THIOMORPHOLIN-
4-YLSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
A,B2OPB0.71
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.83
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.83
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.83
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.83
MAJindane-5-sulfonamideA2QOA0.77
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.73
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLO0.84
F192-[(2-NAPHTHYLSULFONYL)AMINO]ETHYL DIHYDROGEN PHOSPHATEA,B2CLH0.84
NDT2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-
1-OL
A,B1DFG0.72
GVR(2R)-N-hydroxy-3-naphthalen-2-yl-
2-[(naphthalen-2-ylsulfonyl)amino]propanamide
A,B,C2VES0.74
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
C3MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
B,I2C8Y0.78
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.78
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
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.72
FTS(3R)-3-(FLUOROMETHYL)-N-(3,3,3-
TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2G710.75
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.74
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.77
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.77
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.77
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.77
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.77
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.77
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.77
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.77
NAS2-NAPHTHALENESULFONIC ACIDI1QUR0.8
NAS2-NAPHTHALENESULFONIC ACIDE,I1PPC0.8
NAS2-NAPHTHALENESULFONIC ACIDH1ETS0.8
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.76
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.78
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.79
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71
BPSA,B2DE40.7
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.74
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.77