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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01127492

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE		A,B1UK10.74
23IN-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-
5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-
2-METHYLPROPYL}AMINO)-4-METHYL-
5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE		A,B,C,D2P4J0.71
NNCO-[2-(1,3-dioxo-1,3-dihydro-2H-
isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate		A2VG50.71
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.7
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.76
NBXN-{[(4-aminophenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine		A2QN90.72
BRYA2BHE0.7
SLD(3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-
2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-
4-en-1-yl]-3-(4-methyl-2,6-dioxo-
1,6-dihydropyrimidin-5(2H)-ylidene)propanamide		0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		3CXC0.74
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE		A,B1AGW0.7
MNIN-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-
4-(DIMETHYLAMINO)BENZAMIDE		A,B2OYM0.74
VG5N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxo-2,3-dihydro-1H-pyrrol-
1-yl)benzamide		A2VJ60.76
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.72
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide		A2VJ90.81
NNBO-[2-(1,3-dioxo-1,3-dihydro-2H-
isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate		A2VG60.71
MY9N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-
[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-
4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-
5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE		A2P8H0.73
PFG10-PARPARGYL-5,8-DIDEAZAFOLATE-
4-GLUTAMIC ACID		A,B2BBQ0.71
VG0N-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(1,1,5-trimethylhexyl)amino]propyl}-
3-(ethylamino)-5-(2-oxopyrrolidin-
1-yl)benzamide		A2VIE0.8
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.7
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE		B2G630.75
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine		A,B3DDS0.77
XINmethyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-
1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-
2-oxo-2,3-dihydro-1H-indole-6-carboxylate		A3C7Q0.7
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.7
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.7
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.7
VG6N-[(1S,2R)-1-benzyl-2-hydroxy-3-
{[3-(trifluoromethyl)benzyl]amino}propyl]-
3-(ethylamino)-5-(2-oxopyrrolidin-
1-yl)benzamide		A2VJ70.78
SX6N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)-4-morpholin-
4-yl-4-oxobutanamide		A,B3CJ50.75
5HAN-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-
2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE		A2B8L0.73
XXZ1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO-
1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]-
4'-AMINE		A,B3E650.71
NNIO-[2-(1,3-dioxo-1,3-dihydro-2H-
isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate		A2VG70.74
3BN3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-
(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-
5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE		A2B8V0.71
MU0(5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-
4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-
1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-
2-OXO-3-PHENYL-1,3-OXAZOLIDINE-
5-CARBOXAMIDE		A,B2Q550.71
MU1N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-
3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-
5-YL]CARBONYL}AMINO)-1-BENZYL-3-
HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE		A,B2Q540.76
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B3GEY0.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A3CE00.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B1XK90.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A2Q6M0.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE		A,B,C,D,E,F1ZM90.71
CRIA,B1VKG0.71
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine		A,B3DD10.7
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.7
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.75
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.73
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AAZ0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.71
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.71
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID		A1ZLY0.72
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE		A,B,C2FDP0.7
ISNISATINA,B1OJA0.71
ISNISATINA,B2BK50.71
009(4S)-1,4-dibenzyl-N-[(1S,2R)-1-
benzyl-3-{[3-(dimethylamino)benzyl]amino}-
2-hydroxypropyl]-2-oxoimidazolidine-
4-carboxamide		A,B,C3CKR0.76