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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01535992

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DBFDIBENZOFURAN-4,6-DICARBOXYLIC ACIDB1DVU0.83
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid
A,B2ZK50.72
C1F3-CARBOXY-4-METHYL-5-PROPYL-2-FURANPROPIONICA,B2BXA0.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.72
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.72
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E980.78
B29[2-(3-DIBENZOFURAN-4-YL-PHENYL)-
1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
A,B2E930.78
BYS2-BENZO[1,3]DIOXOL-5-YLMETHYL-3-
BENZYL-SUCCINIC ACID
A,B1JJE0.73
8MOMETHOXSALENA,B,C,D1Z110.76
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.7
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.7
SAL2-HYDROXYBENZOIC ACIDA2I300.7
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.7
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.7
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.7
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.7
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.7
SAL2-HYDROXYBENZOIC ACIDA1WYG0.7
SAL2-HYDROXYBENZOIC ACIDA1JGS0.7
SAL2-HYDROXYBENZOIC ACIDX1M6E0.7
SAL2-HYDROXYBENZOIC ACIDA3B9M0.7
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.7
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.7
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.7
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.72
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.73
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.74
6975-HYDROXY-2-(4-HYDROXYPHENYL)-1-
BENZOFURAN-7-CARBONITRILE
A,B1X760.79
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.71
HOM7-HYDROXY-4-METHYL-3-(2-HYDROXY-
ETHYL)COUMARIN
C,D1CJF0.7
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.76
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.71
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X780.79
244[5-HYDROXY-2-(4-HYDROXYPHENYL)-
1-BENZOFURAN-7-YL]ACETONITRILE
A,B1X7E0.79
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.76
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.76
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.76
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.76
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.76
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.76
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.76
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.76
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.76
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.76
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.79
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.79
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.79
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.79
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.79
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.79
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE
A1TTM0.72
BHF2-PHENYL-4H-BENZO[H]CHROMEN-4-ONEA2HI40.75
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.73
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.77
BZFBENZOFURANA182L0.9
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A2Z9C0.75
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B1OOQ0.75
DTCBISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2-
BENZOPYRONE]
A,B,C,D,E,F,
G,H
2F1O0.75
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.76
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.73
3HB3-HYDROXYBENZOIC ACIDA2DKH0.73
MOAMYCOPHENOLIC ACIDA1ME70.7
MOAMYCOPHENOLIC ACIDA,B1JR10.7
MOAMYCOPHENOLIC ACIDA1MEI0.7
MOAMYCOPHENOLIC ACIDA1MEH0.7
AI73-(heptyloxy)benzoic acidA,B2O3Z0.81
COUCOUMARINA3CRB0.76
COUCOUMARINA2PMJ0.76
COUCOUMARINA2H900.76
COUCOUMARINA,B,C,D1Z100.76
COUCOUMARINA2PWB0.76
RWFR-WARFARINA,B2BXD0.72
DDC7-HYDROXY-2-PHENYL-CHROMAN-4-ONEA,B1FM80.7
U034-HYDROXY-7-METHOXY-3-(1-PHENYL-
PROPYL)-CHROMEN-2-ONE
A3UPJ0.71
NOANAPHTHYLOXYACETIC ACIDA,B,I1HIV0.7
NOANAPHTHYLOXYACETIC ACIDI1IVP0.7
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.83
VXXVANILLATEA,B1WB60.71
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
L1FLR0.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,B1N0S0.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
C,L1T660.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A1X9Q0.73
FLU2-(6-HYDROXY-3-OXO-3H-XANTHEN-9-
YL)-BENZOIC ACID
A,D2NMV0.73
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.8
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.73
SWFS-WARFARINA,B1OG50.72
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.72
3MB3-METHOXYBENZAMIDEA3PAX0.7
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.84
C954-{5-[(Z)-(2-IMINO-4-OXO-1,3-THIAZOLIDIN-
5-YLIDENE)METHYL]FURAN-2-YL}BENZOIC ACID
A,C2UZE0.71
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.7
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.73
T4AC,D1KGI0.74
T4AA,B1Z7J0.74
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.75
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.71
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.78
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.78
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.78
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.78
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.78
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.73
FDSFLUORESCINH4FAB0.74
ANN4-METHOXYBENZOIC ACIDA2B960.76
ANN4-METHOXYBENZOIC ACIDA2QUE0.76
ANN4-METHOXYBENZOIC ACIDA1SV30.76
ANN4-METHOXYBENZOIC ACIDA1O2E0.76
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.76
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.71
HXP3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACIDA1XAN0.7
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.72
BDS2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL-
SUCCINIC ACID
A,B1JJT0.71
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.71
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID
A2EVC0.76