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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00082121

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide
A2JT60.75
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.74
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.79
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.79
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE
A2B5J0.78
CTF(17beta)-17-(cyanomethyl)-2-methoxyestra-
1(10),2,4-trien-3-yl sulfamate
A3BET0.71
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.7
TRTFRAGMENT OF TRITON X-100A,E2I0U0.7
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.7
8CM8-HYDROXYCOUMARINA2H8Z0.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.79
BYM(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-
5-YL)METHYLENE]-1,3-THIAZOLIDINE-
2,4-DIONE
A2A4Z0.74
FIL(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-
(AMINOCARBONYL)OXIME
A,B1XLZ0.74
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.73
3MB3-METHOXYBENZAMIDEA3PAX0.8
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.78
SXXSINAPINATEA,B1WB40.75
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.75
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
VXXVANILLATEA,B1WB60.71
ZAR6-(4-DIFLUOROMETHOXY-3-METHOXY-
PHENYL)-2H-PYRIDAZIN-3-ONE
A,B1XOR0.78
ZAR6-(4-DIFLUOROMETHOXY-3-METHOXY-
PHENYL)-2H-PYRIDAZIN-3-ONE
A,B,C,D,E,F,
G,H,I,J,K,L
1MKD0.78
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.75
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.72
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.71
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.75
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.75
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.76
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.75
FX35-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-
2-enoyl]-alpha-L-ribofuranose
A2VGD0.7
CIOCILOMILASTA,B1XOM0.71
CIOCILOMILASTA,B1XLX0.71