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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021514

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.72
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.74
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.76
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.79
HC4A1TS60.72
HC4A3PHY0.72
HC4A3PYP0.72
HC4A1T1C0.72
HC4A1OT60.72
HC4A1TS00.72
HC4A1T1A0.72
HC4A2PYP0.72
HC4A2ZOI0.72
HC4A1OTI0.72
HC4A1XFQ0.72
HC4A2D010.72
HC4A,B,C,D,E,F,
G,H
2O7B0.72
HC4A2ZOH0.72
HC4A1GSW0.72
HC4A2QJ70.72
HC4A1F9I0.72
HC4X1UWP0.72
HC4A2PHY0.72
HC4A1T1B0.72
HC4A1F980.72
HC4A1T190.72
HC4X1UWN0.72
HC4A,B,C,D,E,F,
G,H
2O7F0.72
HC4A1UGU0.72
HC4A1TS80.72
HC4A,B1OTD0.72
HC4A1OTE0.72
HC4A1GSX0.72
HC4A1TS70.72
HC4A2PYR0.72
HC4A1S4S0.72
HC4A1GSV0.72
HC4A2I9V0.72
HC4A2QWS0.72
HC4A1XFN0.72
HC4A1S4R0.72
HC4A1T180.72
HC4A1OTA0.72
HC4A1D7E0.72
HC4A1S1Z0.72
HC4A,B,C1MZU0.72
HC4A,B1ODV0.72
HC4A,B2J3J0.72
HC4A2QJ50.72
HC4A1OTB0.72
HC4A2D020.72
HC4A1OT90.72
HC4A1NWZ0.72
HC4A1S1Y0.72
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.76
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.77
FOA2-FUROIC ACIDA,B2GF30.73
FOA2-FUROIC ACIDA,B,D2GAG0.73
FOA2-FUROIC ACIDA,B,C,D2GAH0.73
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.77
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.73
FU2FURFURALA,B,C,D1QXD0.71
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.82
COUCOUMARINA3CRB0.81
COUCOUMARINA2PMJ0.81
COUCOUMARINA2H900.81
COUCOUMARINA,B,C,D1Z100.81
COUCOUMARINA2PWB0.81
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.71
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.71
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.8
4403-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-
1-thiol
A3B920.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.75
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.75
OA56-(2-phenoxyethoxy)-1,3,5-triazine-
2,4-diamine
A,B2W6Q0.71
OXNOXTOXYNOL-10A1IKT0.71
OXNOXTOXYNOL-10A,B2Q320.71
OXNOXTOXYNOL-10A,B1UEH0.71
OXNOXTOXYNOL-10A,B2D4Q0.71
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.7
258(2-chloroethoxy)benzeneX2RAY0.83
2682-phenoxyethanolA2RBR0.88
DR6ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]-
OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)
C,I,T1YTZ0.7
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.76
AI73-(heptyloxy)benzoic acidA,B2O3Z0.75
MSB1-METHYLOXY-4-SULFONE-BENZENEA1EUB0.73
MSB1-METHYLOXY-4-SULFONE-BENZENEA1BM60.73
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.74
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.74
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.7
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.74
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.82
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.77
SXXSINAPINATEA,B1WB40.71
8CM8-HYDROXYCOUMARINA2H8Z0.74
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.75
NOANAPHTHYLOXYACETIC ACIDI1IVP0.75
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.75
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.71
2612-ethoxyphenolX2RB10.82
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.7
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.7
GMN2,2',2"-[1,2,3-BENZENE-TRIYLTRIS(OXY)]TRIS[N,N,N-
TRIETHYLETHANAMINIUM]
A,B1N5M0.7
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.71
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.71
BOP1-BROMO-4-METHOXYBENZENEC,F1RHQ0.73
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A,B1JP30.71
EGC2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-
TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-
ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-
ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL
A2W220.71