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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02372248

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.77
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.77
NP4(5Z)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWS0.73
3BZ3-chlorobenzoateX2QVZ0.7
3BZ3-chlorobenzoateX2QVX0.7
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
IFAA,B3FC80.71
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.72
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.72
P2N(5Z)-13-CHLORO-14,16-DIHYDROXY-
3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-
1,11(12H)-DIONE
A2CGF0.73
CHP3-CHLORO-4-HYDROXYPHENYLGLYCINEA1DSR0.77
A153'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSL0.73
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.77
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.71
3CAA,B2B770.84
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.72
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.7
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.73
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.73
SAL2-HYDROXYBENZOIC ACIDA2I300.73
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.73
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.73
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.73
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.73
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.73
SAL2-HYDROXYBENZOIC ACIDA1WYG0.73
SAL2-HYDROXYBENZOIC ACIDA1JGS0.73
SAL2-HYDROXYBENZOIC ACIDX1M6E0.73
SAL2-HYDROXYBENZOIC ACIDA3B9M0.73
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.73
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.73
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.73
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.77
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.76
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.76
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.77
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.73
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.83
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.83
NP5(5E)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWU0.73
RDCRADICICOLA,B2Q8I0.71
RDCRADICICOLA,B1U0Z0.71
RDCRADICICOLA1BGQ0.71
RDCRADICICOLB,D,F,H2ZBK0.71
RDCRADICICOLA2HKJ0.71
RDCRADICICOLA,B,C3CGY0.71
RDCRADICICOLA,B2WER0.71
DTYD-TYROSINEA1C4B0.7
DTYD-TYROSINEA,L1ZEA0.7
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.7
DTYD-TYROSINEA,B1UNO0.7
DTYD-TYROSINEA2IGZ0.7
DTYD-TYROSINEA,B,C,H,K,L2R5D0.7
DTYD-TYROSINEA,B2Q330.7
DTYD-TYROSINEH,S2H9E0.7
DTYD-TYROSINEA,B,C,H,K,L2R5B0.7
DTYD-TYROSINEA2IH00.7
DTYD-TYROSINEA1D7T0.7
DTYD-TYROSINEA,B1XA00.7
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.73
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE
A2IWX0.73
FHIA,B1Y1D0.74
L1O4-(2-aminoethoxy)-3,5-dichlorobenzoic acidA2VIO0.76
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.71
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.71
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.72
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.72
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.75
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.75
CNTN-METHYL-META-CHLORO-TYROSINEC,D1OKX0.76
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.71
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.71
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.71
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.71
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.71
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.71
1592-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-
BENZOIC ACID
A,B1NME0.72