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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00482085

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UC41-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-
2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE		A1RT70.7
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid		A,B3DY60.75
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID		A,B1Q4L0.73
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.89
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.75
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.75
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.87
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.71
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.74
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide		A,B3ESN0.71
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid		A,B3FCL0.71
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID		A1ONY0.74
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.79
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.85
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE		E8EST0.73
GBS4-GUANIDINOBENZOIC ACIDX2AH40.79
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.79
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.79
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.79
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid		A3GQZ0.72
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
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.7
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.74
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.85
ISNISATINA,B1OJA0.73
ISNISATINA,B2BK50.73
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.75
U02[2-(3-{[6-(1-BENZYL-PROPYL)-4-HYDROXY-
2-OXO-2H-PYRAN-3-YL]-CYCLOPROPYL-
METHYL}-PHENYLCARBAMOYL)-ETHYL]-
CARBAMIC ACID TERT-BUTYL ESTER		A2UPJ0.73
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID		A2EA20.73
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE		A1RT60.74
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.86
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.86
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.86
RAI1-(4-CARBOXY-2-GUANIDINOPENTYL)-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9T0.7
MTBA,B1SRF0.73
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.81
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.77
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.78
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.87
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE		A1JIM0.72
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.78
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate		A,B,C,D3DEI0.72
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID		A1YW80.72
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.77
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.79
HABA,B1SRE0.77
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		P1JCM0.79
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBM0.79
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBL0.79
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBF0.79
PAB4-AMINOBENZOIC ACIDA1PBD0.79
PAB4-AMINOBENZOIC ACIDB2DZA0.79
PAB4-AMINOBENZOIC ACIDA1IUS0.79
PAB4-AMINOBENZOIC ACIDA1IUU0.79
PAB4-AMINOBENZOIC ACIDA1IUT0.79
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.81
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.81
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID		G4GCH0.71
SX12-amino-5-bromobenzoic acidA,B3CIZ0.79
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.74
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.73
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.74
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID		A1ONZ0.72
3FTA2BXV0.71
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A4LBD0.72
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXX0.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.75
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.75
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.75
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.8
GAB3-AMINOBENZOIC ACIDA,B3GSB0.8
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.8
GAB3-AMINOBENZOIC ACIDA3FHB0.8
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE		A1YXV0.72
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.72
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.78
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.8
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.74
NN33-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID		A,B2GIR0.7
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.73
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		2OZR0.71
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.73
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,D2VW50.71
6CAA2FLM0.72
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide		A,B3ESP0.7
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.77
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid		A,B3CJ40.71
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.73
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.78
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE		A1AMN0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE		A,B2H9Y0.71
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H		1F8S0.86
BE22-AMINOBENZOIC ACIDE,I1ZFP0.86
BE22-AMINOBENZOIC ACIDA,B2HU80.86
BE22-AMINOBENZOIC ACIDA,B1AN90.86
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.86
BE22-AMINOBENZOIC ACIDA,B2YR60.86
BE22-AMINOBENZOIC ACIDA,I1E8N0.86
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.86
BE22-AMINOBENZOIC ACIDA1C0I0.86
BE22-AMINOBENZOIC ACIDA,B2JB30.86
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.86
DMBA,B1SRI0.76
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.72
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID		A1NZ70.73
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.78
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.7
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.87
KYNKYNURENINEA,B,C,D2R2N0.75
KYNKYNURENINEA,B3E2Z0.75
KYNKYNURENINEA1XT70.75
KYNKYNURENINEA1T5M0.75
KYNKYNURENINEA1T5N0.75
KYNKYNURENINEA2VOV0.75
KYNKYNURENINEA2VOX0.75
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.8
GWB4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-
3-ISOPROPYLQUINOLIN-2(1H)-ONE		A1TKX0.71
MHBA,B1SRG0.77
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID		A2GG70.73
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.77
44CA2FBR0.72
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		3H060.71
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.86
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.86
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.86
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.77
IPC3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID		A1YVX0.71
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXA0.72
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.7
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.8
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.76
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71