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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01227452

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.75
4MDN-(4-chlorobenzyl)-N-methylbenzene-
1,4-disulfonamide
A,B3DA20.78
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.76
I7C4-AMINO-6-(TRIFLUOROMETHYL)BENZENE-
1,3-DISULFONAMIDE
A2POW0.7
SANSULFANILAMIDEA1AJ00.72
TSUPARA-TOLUENE SULFONATEA,B1WUW0.71
TSUPARA-TOLUENE SULFONATEA1B0D0.71
MAJindane-5-sulfonamideA2QOA0.74
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.73
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE
A2Q1B0.71
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE
A2Q380.71
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.8
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.8
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.8
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.8
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.74
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.74
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.74
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.74
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.74
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.74
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.74
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.74
G0GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-
BENZYLBENZENESULFONAMIDE)
A,B2PQZ0.73
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.82
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.73
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.72
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.72
BPSA,B2DE40.73
BIHNAPHTHALENE-2,6-DISULFONIC ACIDA1U4S0.7
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.72
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.72
BHYN,N'-[biphenyl-4,4'-diyldi(2R)propane-
2,1-diyl]dimethanesulfonamide
A,B3BBR0.73
AL5THIOPHENE-2,5-DISULFONIC ACID 2-
AMIDE-5-(4-METHYL-BENZYLAMIDE)
A1BN10.78
AM44-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDEA1TX80.75
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
QN2N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-
(4-iodobenzyl)benzenesulfonamide]
A,B2QNP0.7
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.71