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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03446256

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ANTANTHRAMYCINA274D0.75
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)		A,B,C3CMP0.7
PZD(11aS)-7,8-dimethoxy-2-naphthalen-
2-yl-1,10,11,11a-tetrahydro-5H-
pyrrolo[2,1-c][1,4]benzodiazepin-
5-one		A,B2K4L0.71
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.76
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.76
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.76
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.76
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.76
BN44-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2,3-DIMETHYLPHENOXY]BUTANOIC ACID		A1WV00.7
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.73
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.84
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.72
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.72
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2HZ00.71
136N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-
2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE		B1GJD0.73
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE		A,B2IEH0.75
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.73
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.75
DZ22,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3ESO0.75
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.73
MHBA,B1SRG0.8
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.78
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.82
GFA2-[4-chloro-2-(phenylcarbonyl)phenoxy]-
N-phenylacetamide		A3DLE0.7
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.71
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE		A1W510.72
MRA2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-
3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE		A2P550.7
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.72
BC6(4E,8S,9R,10E,12S,13R,14S,16R)-
13,20-dihydroxy-14-methoxy-4,8,10,12,16-
pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-
1(22),4,10,18,20-pentaen-9-yl carbamate		A,B,C,D2VW50.72
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)		A,B2CHU0.73
MIY(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-
3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-
1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-
2-CARBOXAMIDE		A2DRD0.72
DMBA,B1SRI0.78
DPAA,B1PIK0.72
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.75
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid		A,B3DY60.74
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE		A,B1EH40.73
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER		A1ZSK0.78
VG4N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-
1H-pyrrol-1-yl)-5-propoxybenzamide		A2VIZ0.71
ILBA2FPT0.73
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.74
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.74
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.72
ZY3N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHOXYBENZYL)AMINO]PROPYL}-
6-(ETHYLAMINO)-1-METHYL-1,3,4,5-
TETRAHYDRO-2,1-BENZOTHIAZEPINE-
8-CARBOXAMIDE 2,2-DIOXIDE		A2WF30.73
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide		A,B3ESN0.8
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide		A2VJ90.71
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine		A,B3DD10.71
CNO2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-
ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-
METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID		A,B,C,D1K0Y0.75
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXA0.71
CS5N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE		A,B2QK50.7
ILHA2FQI0.71
4182-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-
3-{4-[(2-CARBOXY-PHENYL)-OXALYL-
AMINO]-PHENYL}-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER		A1PH00.71
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.75
UA1N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-
N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE		A2I4H0.7
UA1N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-
N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE		A2I4G0.7
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.7
GG14-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-
1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-
3(2H)-YL]METHYL}BENZOIC ACID		A,B,C,D,E,F,
G,H		2OZR0.73
TAVN-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]-
5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}-
L-ASPARTIC ACID		A,B,C,D1YBG0.72
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE		A1ZSJ0.83
0612-BUTYL-6-HYDROXY-3-[2'-(1H-TETRAZOL-
5-YL)-BIPHENYL-4-YLMETHYL]-3H-QUINAZOLIN-
4-ONE		A,B1A8T0.72
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide		A2VIQ0.7
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.81
3XH3-Hydroxyhippuric acidA3E9K0.72
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.82
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.73
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H		1F8S0.72
BE22-AMINOBENZOIC ACIDE,I1ZFP0.72
BE22-AMINOBENZOIC ACIDA,B2HU80.72
BE22-AMINOBENZOIC ACIDA,B1AN90.72
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.72
BE22-AMINOBENZOIC ACIDA,B2YR60.72
BE22-AMINOBENZOIC ACIDA,I1E8N0.72
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.72
BE22-AMINOBENZOIC ACIDA1C0I0.72
BE22-AMINOBENZOIC ACIDA,B2JB30.72
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.72
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.72
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.75
3FTA2BXV0.74
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.81
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.7
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.72
R373-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LF20.7
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.74
012(4S)-N-[(1S,2R)-1-benzyl-3-{[3-
(dimethylamino)benzyl]amino}-2-
hydroxypropyl]-1-(3-methoxybenzyl)-
2-oxoimidazolidine-4-carboxamide		A,B,C3CKP0.7
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.71
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide		A,B3ESP0.78
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.77
MIX1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-
9,10-ANTHRACENEDIONE		A,B,C,D2FUM0.75
6CAA2FLM0.78
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.74
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.74
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.73
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE		A1Q7A0.79
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE		A,B2BXB0.79
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE		A2BXO0.79
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.71
MTBA,B1SRF0.79
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BYX0.78
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BZ00.78
N3PN-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE-
2-CARBOXAMIDE		A,B,C,D2OT10.73
R364-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LEE0.71
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE		A4PAX0.8
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.71
HABA,B1SRE0.81
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.76
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID		A1ONZ0.81
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE		A1YXX0.8
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.78
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.79
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A4LBD0.71
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXX0.71
CRIA,B1VKG0.71
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.75
SN98-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM		A,B1ZPI0.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.77
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.74
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID		A,B1Q4L0.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.76
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.71
BSDN-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(3-methoxybenzyl)amino]propyl}-
5-[methyl(methylsulfonyl)amino]-
N'-[(1R)-1-phenylethyl]benzene-
1,3-dicarboxamide		A,B,C,D2VKM0.74
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.75
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE		A,B,C,D,E,F,
G,H		2ACL0.78
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
NABA,B1SRJ0.8
1954-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6Q0.71
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE		A,B1XCU0.73
44CA2FBR0.78
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID		G4GCH0.7
4BMN-{[(2R)-2,3-dihydroxypropyl]oxy}-
3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide		A3EQG0.71
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.76
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.77