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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00048080

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.79
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.71
D1L2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACIDA,B1UYR0.7
POT(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATEA2NW60.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.71
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.71
TRTFRAGMENT OF TRITON X-100A,E2I0U0.7
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.7
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.7
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.72
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.74
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
2682-phenoxyethanolA2RBR0.84
CFA(2,4-DICHLOROPHENOXY)ACETIC ACIDB,E2P1N0.74
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.7
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.77
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.71
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.72
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
IPHPHENOLA,B2OLD0.71
IPHPHENOLA,B,C,D2PZV0.71
IPHPHENOLA1LI20.71
IPHPHENOLA2J9N0.71
IPHPHENOLA,B,C,D2OMB0.71
IPHPHENOLA1JHX0.71
IPHPHENOLA,B,C,D2VE70.71
IPHPHENOLB,D,E,G,H,J,L1AI00.71
IPHPHENOLA,B,C,D1FOH0.71
IPHPHENOLA1V030.71
IPHPHENOLA,C,E,G,I,K5AIY0.71
IPHPHENOLB,D,F,H,J,L1AIY0.71
IPHPHENOLA,B1XU50.71
IPHPHENOLA,B,C,D,E,G,
I,K
1W8P0.71
IPHPHENOLA,C,E,G,I,K4AIY0.71
IPHPHENOLA,B,C,D,E,F,
G,H
1XDA0.71
IPHPHENOLA2AS30.71
IPHPHENOLA,B,C,D1ZEG0.71
IPHPHENOLA,B,C,D1PN00.71
IPHPHENOLA,B,C,D1XW70.71
IPHPHENOLA,C,E,G,I,K,M1QIY0.71
IPHPHENOLA,B,C,D1Q4V0.71
IPHPHENOLB1AI70.71
IPHPHENOLA1FJW0.71
IPHPHENOLB,C,D1RWE0.71
IPHPHENOLA,B,C,D,E,G,
H,I,K
1ZNJ0.71
IPHPHENOLB,C,D3GKY0.71
IPHPHENOLA1JHY0.71
IPHPHENOLA,C,E,G,I,K3AIY0.71
IPHPHENOLA,B2OMN0.71
IPHPHENOLA,C,E,G,I,K2AIY0.71
IPHPHENOLA,B,D1MPJ0.71
IPHPHENOLA,B,C,D,F,G,
H,J
1WAV0.71
IPHPHENOLB,C,D1LPH0.71
COUCOUMARINA3CRB0.75
COUCOUMARINA2PMJ0.75
COUCOUMARINA2H900.75
COUCOUMARINA,B,C,D1Z100.75
COUCOUMARINA2PWB0.75
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.72
NOANAPHTHYLOXYACETIC ACIDI1IVP0.72
INK(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-
YL)-METHYLPHOSPHONIC ACID CHLORIDE
A1HQD0.76
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.75
EPLDIETHYL 4-METHOXYPHENYL PHOSPHATEA2R1N0.75
AI73-(heptyloxy)benzoic acidA,B2O3Z0.72
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.8
258(2-chloroethoxy)benzeneX2RAY0.79
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
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
FU2FURFURALA,B,C,D1QXD0.72
2612-ethoxyphenolX2RB10.8
LJ42,6-dibromo-4-phenoxyphenolA,B3CN30.72