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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01263357

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.71
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IME0.72
TOH(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT-
3-ENOIC ACID
A2IMD0.72
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE
A2B5J0.7
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.75
PFI(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-
4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-
5,6-DIHYDRO-2H-PYRAN-2-ONE
A2HAI0.74
TRTFRAGMENT OF TRITON X-100A,E2I0U0.7
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.7
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.7
SXXSINAPINATEA,B1WB40.74
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.74
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.75
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.74
ANN4-METHOXYBENZOIC ACIDA2B960.78
ANN4-METHOXYBENZOIC ACIDA2QUE0.78
ANN4-METHOXYBENZOIC ACIDA1SV30.78
ANN4-METHOXYBENZOIC ACIDA1O2E0.78
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.78
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.74
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.74
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A2OPA0.77
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B,C1MFI0.77
FHC2-FLUORO-3-(4-HYDROXYPHENYL)-2E-
PROPENEOATE
A,B1GYY0.77
AI73-(heptyloxy)benzoic acidA,B2O3Z0.74
YZ97-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTERA,B,C1GCZ0.72
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.78
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.73
HC4A1TS60.76
HC4A3PHY0.76
HC4A3PYP0.76
HC4A1T1C0.76
HC4A1OT60.76
HC4A1TS00.76
HC4A1T1A0.76
HC4A2PYP0.76
HC4A2ZOI0.76
HC4A1OTI0.76
HC4A1XFQ0.76
HC4A2D010.76
HC4A,B,C,D,E,F,
G,H
2O7B0.76
HC4A2ZOH0.76
HC4A1GSW0.76
HC4A2QJ70.76
HC4A1F9I0.76
HC4X1UWP0.76
HC4A2PHY0.76
HC4A1T1B0.76
HC4A1F980.76
HC4A1T190.76
HC4X1UWN0.76
HC4A,B,C,D,E,F,
G,H
2O7F0.76
HC4A1UGU0.76
HC4A1TS80.76
HC4A,B1OTD0.76
HC4A1OTE0.76
HC4A1GSX0.76
HC4A1TS70.76
HC4A2PYR0.76
HC4A1S4S0.76
HC4A1GSV0.76
HC4A2I9V0.76
HC4A2QWS0.76
HC4A1XFN0.76
HC4A1S4R0.76
HC4A1T180.76
HC4A1OTA0.76
HC4A1D7E0.76
HC4A1S1Z0.76
HC4A,B,C1MZU0.76
HC4A,B1ODV0.76
HC4A,B2J3J0.76
HC4A2QJ50.76
HC4A1OTB0.76
HC4A2D020.76
HC4A1OT90.76
HC4A1NWZ0.76
HC4A1S1Y0.76
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.78
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.75
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.78
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.71
DHCCAFFEIC ACIDA1KOU0.71
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.72
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.72
SN12,4-DIHYDROXY-TRANS CINNAMIC ACID11K2I0.7
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.7
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.7
3MB3-METHOXYBENZAMIDEA3PAX0.73
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.73
COUCOUMARINA3CRB0.78
COUCOUMARINA2PMJ0.78
COUCOUMARINA2H900.78
COUCOUMARINA,B,C,D1Z100.78
COUCOUMARINA2PWB0.78
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.82