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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00080824

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.71
RNA4-METHYL-N-{(5E)-5-[(5-METHYL-2-
FURYL)METHYLENE]-4-OXO-4,5-DIHYDRO-
1,3-THIAZOL-2-YL}BENZENESULFONAMIDE
A,B2HWH0.72
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E980.7
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E930.7
3MB3-METHOXYBENZAMIDEA3PAX0.79
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE
A,B1X760.76
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.7
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.73
BZFBENZOFURANA182L0.79
C944-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-
5-YLIDENE)METHYL]FURAN-2-YL}-2-
(TRIFLUOROMETHYL)BENZENESULFONAMIDE
A,C2UZL0.74
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.74
C624-{5-[(Z)-(2,4-DIOXO-1,3-THIAZOLIDIN-
5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE
A2UZO0.8
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE
A2B5J0.74
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.72
HQQ5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-
2,4,6-TRIONE
A,B,C1G4K0.7
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.71
ANN4-METHOXYBENZOIC ACIDA2B960.7
ANN4-METHOXYBENZOIC ACIDA2QUE0.7
ANN4-METHOXYBENZOIC ACIDA1SV30.7
ANN4-METHOXYBENZOIC ACIDA1O2E0.7
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.7
R224-(3,5-DIMETHYLPHENOXY)-5-(FURAN-
2-YLMETHYLSULFANYLMETHYL)-3-IODO-
6-METHYLPYRIDIN-2(1H)-ONE
A,B2BE20.73
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.73
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.75
BPF2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURANA,B360D0.74
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.76
AI73-(heptyloxy)benzoic acidA,B2O3Z0.74
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.7
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.7
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.7
D192,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURANA289D0.74
C964-{5-[(1Z)-1-(2-IMINO-4-OXO-1,3-
THIAZOLIDIN-5-YLIDENE)ETHYL]-2-
FURYL}BENZENESULFONAMIDE
A2UZN0.77
C754-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-
5-YLIDENE)METHYL]-2-FURYL}-N-METHYLBENZENESULFONAMIDE
A,C2UZB0.75
D342,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURANA1FMQ0.73
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X780.75
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X7E0.75
D352,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURANA1FMS0.73
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.74
YE65-(2-chlorophenyl)furan-2-carbohydrazideA2P9A0.75
YE65-(2-chlorophenyl)furan-2-carbohydrazideA2P990.75
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide
A2JT60.76
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.79
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
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.71
C954-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-
5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID
A,C2UZE0.79
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.7
D242,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-
5-YLAMINO-1-AMINOMETHYL]-PHEN-1-
YL]FURAN
B1EEL0.74
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.73
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.7
C854-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-
5-YLIDENE)METHYL]FURAN-2-YL}BENZENESULFONAMIDE
A,C2UZD0.77
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.76