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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02663070

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FCK3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-
tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid		B3FCK0.7
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.72
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID		A,B1Q4L0.73
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.8
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.85
DIZ(4-CHLOROPHENYL)[3-(4-CHLOROPHENYL)-
7-IODO-2,5-DIOXO-1,2,3,5-TETRAHYDRO-
4H-1,4-BENZODIAZEPIN-4-YL]ACETIC ACID		A,B1T4E0.7
DMBA,B1SRI0.72
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.74
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE		A1YXV0.75
GBS4-GUANIDINOBENZOIC ACIDX2AH40.76
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.76
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.76
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.76
HABA,B1SRE0.73
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		2OZR0.7
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		P1JCM0.8
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBM0.8
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBL0.8
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBF0.8
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.85
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.85
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.85
RXC(1S)-1-(3-chlorophenyl)-2-oxo-2-
[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
5-yl)amino]ethyl acetate		A,B,C,D3DEJ0.75
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID		A1ONZ0.75
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.93
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE		B2G630.7
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.84
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.73
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE		A1JIM0.73
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.81
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.79
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid		A,B3DY60.74
RAI1-(4-CARBOXY-2-GUANIDINOPENTYL)-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9T0.74
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.71
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.75
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE		E8EST0.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H		1F8S0.82
BE22-AMINOBENZOIC ACIDE,I1ZFP0.82
BE22-AMINOBENZOIC ACIDA,B2HU80.82
BE22-AMINOBENZOIC ACIDA,B1AN90.82
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.82
BE22-AMINOBENZOIC ACIDA,B2YR60.82
BE22-AMINOBENZOIC ACIDA,I1E8N0.82
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.82
BE22-AMINOBENZOIC ACIDA1C0I0.82
BE22-AMINOBENZOIC ACIDA,B2JB30.82
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.82
PAB4-AMINOBENZOIC ACIDA1PBD0.76
PAB4-AMINOBENZOIC ACIDB2DZA0.76
PAB4-AMINOBENZOIC ACIDA1IUS0.76
PAB4-AMINOBENZOIC ACIDA1IUU0.76
PAB4-AMINOBENZOIC ACIDA1IUT0.76
SX12-amino-5-bromobenzoic acidA,B3CIZ0.76
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine		A,B3DD10.71
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.71
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.77
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.78
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.76
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID		A2EA20.7
VBP4-({3-[(2R)-2-amino-2-carboxyethyl]-
2,6-dioxo-3,6-dihydropyrimidin-
1(2H)-yl}methyl)benzoic acid		B,E,G,H,J,L,
N,P		3H060.72
DPAA,B1PIK0.74
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.81
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A4LBD0.77
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXX0.77
4BMN-{[(2R)-2,3-dihydroxypropyl]oxy}-
3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide		A3EQG0.7
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.85
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.72
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.72
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.78
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,B2Q540.72
UC41-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-
2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE		A1RT70.71
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.79
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.83
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.73
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.77
GAB3-AMINOBENZOIC ACIDA,B3GSB0.77
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.77
GAB3-AMINOBENZOIC ACIDA3FHB0.77
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid		A3GQZ0.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.85
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.84
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.84
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.84
6CAA2FLM0.72
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid		A,B3CJ40.71
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID		A2GG70.7
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.75
MHBA,B1SRG0.73
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid		A,B3FCL0.7
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.76
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.79
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.91
KYNKYNURENINEA,B,C,D2R2N0.72
KYNKYNURENINEA,B3E2Z0.72
KYNKYNURENINEA1XT70.72
KYNKYNURENINEA1T5M0.72
KYNKYNURENINEA1T5N0.72
KYNKYNURENINEA2VOV0.72
KYNKYNURENINEA2VOX0.72
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.74
MNIN-{[(2R,3R,4R,5R)-3,4-DIHYDROXY-
5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}-
4-(DIMETHYLAMINO)BENZAMIDE		A,B2OYM0.71
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate		A,B,C,D3DEI0.79
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE		A1RT60.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.78
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.76
ANJ(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-
2-HYDROXYBENZOYL]AMINO}-8-HEXYL-
2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-
7-YL (2S)-2-METHYLBUTANOATE		A,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.72
ANJ(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-
2-HYDROXYBENZOYL]AMINO}-8-HEXYL-
2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-
7-YL (2S)-2-METHYLBUTANOATE		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.72
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,		A1WAX0.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.7
44CA2FBR0.72
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.81
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.74
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.76
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.75
AMYANTIMYCINC,D,E3BCC0.72
ISNISATINA,B1OJA0.71
ISNISATINA,B2BK50.71
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXA0.77
IPC3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID		A1YVX0.71
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.81
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.78
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.78
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.74
UBC(S)-1-(2-AMINO-2-CARBOXYETHYL)-
3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-
DIONE		A,B2F350.7
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.74
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.75
ANY2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-
2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-
2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-
7-YL ESTER		A,C,D,E,N,P,
Q,R		3H1I0.72
ANY2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-
2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-
2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-
7-YL ESTER		A,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.72
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.78