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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00051117

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TY23-AMINO-L-TYROSINEA,B2VH30.7
UC41-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-
2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE
A1RT70.7
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE
E8EST0.74
KYNKYNURENINEA,B,C,D2R2N0.71
KYNKYNURENINEA,B3E2Z0.71
KYNKYNURENINEA1XT70.71
KYNKYNURENINEA1T5M0.71
KYNKYNURENINEA1T5N0.71
KYNKYNURENINEA2VOV0.71
KYNKYNURENINEA2VOX0.71
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.74
I03(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3-
({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE
A2IS00.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.82
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.82
BRFA1UUO0.73
RAI1-(4-CARBOXY-2-GUANIDINOPENTYL)-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9T0.73
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.74
GBS4-GUANIDINOBENZOIC ACIDX2AH40.81
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.81
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.81
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.81
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.85
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.85
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.85
MRA2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-
3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE
A2P550.72
A842-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-
1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-
5,6,7,8-TETRAHYDRONAPHTHALENE-1-
CARBOXYLIC ACID
A1YW90.71
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
A1VCJ0.74
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.72
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.76
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.83
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.81
BE22-AMINOBENZOIC ACIDE,I1ZFP0.81
BE22-AMINOBENZOIC ACIDA,B2HU80.81
BE22-AMINOBENZOIC ACIDA,B1AN90.81
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.81
BE22-AMINOBENZOIC ACIDA,B2YR60.81
BE22-AMINOBENZOIC ACIDA,I1E8N0.81
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.81
BE22-AMINOBENZOIC ACIDA1C0I0.81
BE22-AMINOBENZOIC ACIDA,B2JB30.81
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.81
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.75
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.85
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.71
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.73
CBLCHLORAMBUCILA,B3CSJ0.7
MTBA,B1SRF0.72
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.83
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.87
GAB3-AMINOBENZOIC ACIDA,B3GSB0.87
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.87
GAB3-AMINOBENZOIC ACIDA3FHB0.87
NABA,B1SRJ0.7
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.79
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.74
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.74
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE
A1RT60.74
ILBA2FPT0.73
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.79
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.79
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.79
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.79
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.79
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.79
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.79
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.79
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.92
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.72
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.8
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.74
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.73
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.74
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.74
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.7
4BMN-{[(2R)-2,3-dihydroxypropyl]oxy}-
3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
A3EQG0.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.78
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.77
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A1EXA0.76
AJH4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-
1,4-diazepan-1-yl}carbonyl)benzoic acid
A,B3EIO0.72
PAB4-AMINOBENZOIC ACIDA1PBD0.81
PAB4-AMINOBENZOIC ACIDB2DZA0.81
PAB4-AMINOBENZOIC ACIDA1IUS0.81
PAB4-AMINOBENZOIC ACIDA1IUU0.81
PAB4-AMINOBENZOIC ACIDA1IUT0.81
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.72
ILHA2FQI0.71
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID
A,B1Q4L0.78
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9V0.74
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.72
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.75
AVD1-(2-carboxyphenyl)-7-chloro-6-
[(2-chloro-4,6-difluorophenyl)amino]-
4-oxo-1,4-dihydroquinoline-3-carboxylic acid
A,B3CEM0.71
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.71
L98(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-SULFANYLPROPANOIC ACID
A,B,C1ZG80.7
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.75
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.75
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID
A2F710.72
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.7
QNDQUINALDIC ACIDA,B1IDA0.71
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.76
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.72
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
A,B3DY60.72
MHBA,B1SRG0.76
DMBA,B1SRI0.75
7123-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-
5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-
METHYL-D-PHENYLALANINATE
A2PH60.72
SX12-amino-5-bromobenzoic acidA,B3CIZ0.75
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.77
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
P1JCM0.75
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBM0.75
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBL0.75
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBF0.75
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.71
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.8
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.92
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.92
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.92
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.8
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.83
6CAA2FLM0.72
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.78
IBRA9EST0.72
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
A,B3FCL0.7
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.82
4NB4-NITROBENZOIC ACIDA,B3CHT0.74
G30(1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acidA3G300.71
4FCA1YSG0.7
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
3FTA2BXV0.75
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.83
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.86
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.73
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID
A1NL90.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide
A,B3ESP0.73
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.76
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A4LBD0.76
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A1EXX0.76
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide
A,B3ESN0.73
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide
A2VJ90.7
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.84
44CA2FBR0.72
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid
A,B3FMZ0.78
HABA,B1SRE0.76
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID
A1ONY0.71
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.75
BPDN-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-
4,6-DICARBOXYLIC ACID
A1DVY0.72
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.77
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.71
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID
A1NZ70.7
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.7
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.82
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.76
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.7
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.74
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.72
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.76