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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813157

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.74
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.74
C2U3,5-dichloro-2-hydroxybenzoic acidA3C3U0.84
C2U3,5-dichloro-2-hydroxybenzoic acidA3CV70.84
CHP3-CHLORO-4-HYDROXYPHENYLGLYCINEA1DSR0.78
34D3,5-DIHYDROXYBENZOATEA,B2BX70.7
SMN(S)-MANDELIC ACIDA1MDL0.72
NE23,3',4',5-TETRACHLOROBIPHENYL-4-
OL
A,B2GAB0.77
BP62',6'-DICHLORO-BIPHENYL-2,6-DIOLA1LKD0.7
M1S(5E)-14-CHLORO-15,17-DIHYDROXY-
4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-
1,12(3H,13H)-DIONE
A2IWX0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.7
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.7
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.7
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.7
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
3BZ3-chlorobenzoateX2QVZ0.77
3BZ3-chlorobenzoateX2QVX0.77
A153'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSL0.7
NE12',3,3',4',5-PENTACHLOROBIPHENYL-
4-OL
A,B2G9K0.76
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
CNTN-METHYL-META-CHLORO-TYROSINEC,D1OKX0.75
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.73
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.74
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5U0.93
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B3E6B0.93
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D3E5X0.93
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDA,B2H6B0.93
3C4(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACIDC3E6C0.93
NP5(5E)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWU0.71
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.79
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.84
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.84
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.84
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.75
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.72
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.7
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.77
3CAA,B2B770.76
2CH2-CHLOROPHENOLA1WBO0.71
PHBP-HYDROXYBENZOIC ACIDA1CJ40.73
PHBP-HYDROXYBENZOIC ACIDA1DOB0.73
PHBP-HYDROXYBENZOIC ACIDA1PXB0.73
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.73
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.73
PHBP-HYDROXYBENZOIC ACIDA1IUV0.73
PHBP-HYDROXYBENZOIC ACIDA1PBE0.73
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.73
PHBP-HYDROXYBENZOIC ACIDA1PDH0.73
PHBP-HYDROXYBENZOIC ACIDB2BUW0.73
PHBP-HYDROXYBENZOIC ACIDA1CC40.73
PHBP-HYDROXYBENZOIC ACIDA1CC60.73
PHBP-HYDROXYBENZOIC ACIDA1IUW0.73
PHBP-HYDROXYBENZOIC ACIDA1FW90.73
PHBP-HYDROXYBENZOIC ACIDA1G810.73
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.73
PHBP-HYDROXYBENZOIC ACIDA1IUX0.73
PHBP-HYDROXYBENZOIC ACIDA1CJ30.73
PHBP-HYDROXYBENZOIC ACIDA1D7L0.73
PHBP-HYDROXYBENZOIC ACIDA2PHH0.73
PHBP-HYDROXYBENZOIC ACIDA1BGN0.73
PHBP-HYDROXYBENZOIC ACIDA1PXA0.73
PHBP-HYDROXYBENZOIC ACIDA1DOC0.73
PHBP-HYDROXYBENZOIC ACIDA1K0I0.73
PHBP-HYDROXYBENZOIC ACIDA1BKW0.73
PHBP-HYDROXYBENZOIC ACIDA1JD30.73
PHBP-HYDROXYBENZOIC ACIDA1PXC0.73
PHBP-HYDROXYBENZOIC ACIDA1TT80.73
PHBP-HYDROXYBENZOIC ACIDA1CJ20.73
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.73
PHBP-HYDROXYBENZOIC ACIDA1BF30.73
PHBP-HYDROXYBENZOIC ACIDB2BUR0.73
34Z3,4-dichlorobenzoateX2QVY0.75
34Z3,4-dichlorobenzoateX2QW00.75
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.79
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.79
HC4A1TS60.71
HC4A3PHY0.71
HC4A3PYP0.71
HC4A1T1C0.71
HC4A1OT60.71
HC4A1TS00.71
HC4A1T1A0.71
HC4A2PYP0.71
HC4A2ZOI0.71
HC4A1OTI0.71
HC4A1XFQ0.71
HC4A2D010.71
HC4A,B,C,D,E,F,
G,H
2O7B0.71
HC4A2ZOH0.71
HC4A1GSW0.71
HC4A2QJ70.71
HC4A1F9I0.71
HC4X1UWP0.71
HC4A2PHY0.71
HC4A1T1B0.71
HC4A1F980.71
HC4A1T190.71
HC4X1UWN0.71
HC4A,B,C,D,E,F,
G,H
2O7F0.71
HC4A1UGU0.71
HC4A1TS80.71
HC4A,B1OTD0.71
HC4A1OTE0.71
HC4A1GSX0.71
HC4A1TS70.71
HC4A2PYR0.71
HC4A1S4S0.71
HC4A1GSV0.71
HC4A2I9V0.71
HC4A2QWS0.71
HC4A1XFN0.71
HC4A1S4R0.71
HC4A1T180.71
HC4A1OTA0.71
HC4A1D7E0.71
HC4A1S1Z0.71
HC4A,B,C1MZU0.71
HC4A,B1ODV0.71
HC4A,B2J3J0.71
HC4A2QJ50.71
HC4A1OTB0.71
HC4A2D020.71
HC4A1OT90.71
HC4A1NWZ0.71
HC4A1S1Y0.71
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.71
SAL2-HYDROXYBENZOIC ACIDA2I300.71
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.71
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.71
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.71
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.71
SAL2-HYDROXYBENZOIC ACIDA1WYG0.71
SAL2-HYDROXYBENZOIC ACIDA1JGS0.71
SAL2-HYDROXYBENZOIC ACIDX1M6E0.71
SAL2-HYDROXYBENZOIC ACIDA3B9M0.71
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.71
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.71
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.71
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.7
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.7
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.77
1744-CHLORO-BENZOIC ACIDX3DLP0.76
1744-CHLORO-BENZOIC ACIDX1T5D0.76
RMN(R)-MANDELIC ACIDA1MDL0.72
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.72
NP4(5Z)-12-CHLORO-13,15-DIHYDROXY-
4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-
1,10(3H,11H)-DIONE
A2IWS0.71
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.84
L1O4-(2-aminoethoxy)-3,5-dichlorobenzoic acidA2VIO0.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.75
43M4-CHLORO-3-METHYLPHENOLA2P7A0.71
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAV0.77
IH5[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)-
3,5-DIMETHYLPHENYL]ACETIC ACID
A1NAX0.77
YRG(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acidA3CDP0.72
P2N(5Z)-13-CHLORO-14,16-DIHYDROXY-
3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-
1,11(12H)-DIONE
A2CGF0.71
EAAETHACRYNIC ACIDA,B3DGQ0.72
EAAETHACRYNIC ACIDA,B11GS0.72
EAAETHACRYNIC ACIDA,B,C,D1GSF0.72
EAAETHACRYNIC ACIDA,B2GSS0.72
EAAETHACRYNIC ACIDA,B3GSS0.72
EAAETHACRYNIC ACIDA,B1GSE0.72
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.7
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B1G3M0.81
PCQ3,5,3',5'-TETRACHLORO-BIPHENYL-
4,4'-DIOL
A,B2G5U0.81
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.8
4HP4-HYDROXYPHENYLACETATEA2YYJ0.8
4HP4-HYDROXYPHENYLACETATEA2YYM0.8
4HP4-HYDROXYPHENYLACETATEB1AI60.8
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.8
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.78
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.78