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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01397715

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CHP3-CHLORO-4-HYDROXYPHENYLGLYCINEA1DSR0.78
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.71
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.72
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.71
TN33-CHLORO-4-(4-CHLORO-2-HYDROXYPHENOXY)-
N-METHYLBENZAMIDE
A,B1ZXB0.84
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
A,B2ZNP0.7
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.71
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.71
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.72
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.74
CNTN-METHYL-META-CHLORO-TYROSINEC,D1OKX0.77
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.72
3XH3-Hydroxyhippuric acidA3E9K0.77
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.7
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.72
TF3N-(2-AMINOETHYL)-2-{3-CHLORO-4-
[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE
A2BU70.73
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.7
IFAA,B3FC80.72
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.72
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.76
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE
A1REJ0.72
L1R4-(2-AMINOETHOXY)-3,5-DICHLORO-
N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE
A2VIP0.73
PEM2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-
2-METHYLPROPIONIC ACID
A,B1IWH0.77
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.73
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.74
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.74
DZ22,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3ESO0.71
DK22-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-
1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID
A,B2PU20.71
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.7
CHB3-CHLORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCH0.73
HBZN-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN70.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.77
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLM0.72
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLF0.72
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLE0.72
46C4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin-
2(1H)-yl)methyl]benzoic acid
A2ZDT0.71
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.71