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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02349739

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.75
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.74
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.73
DMBA,B1SRI0.77
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.73
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.73
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID
A2F710.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.83
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.83
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.83
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.73
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.73
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.8
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.78
FBCA,B2B9A0.76
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.79
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A4LBD0.73
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A1EXX0.73
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide
A,B3ESN0.71
PAB4-AMINOBENZOIC ACIDA1PBD0.83
PAB4-AMINOBENZOIC ACIDB2DZA0.83
PAB4-AMINOBENZOIC ACIDA1IUS0.83
PAB4-AMINOBENZOIC ACIDA1IUU0.83
PAB4-AMINOBENZOIC ACIDA1IUT0.83
MTBA,B1SRF0.77
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.88
GAB3-AMINOBENZOIC ACIDA,B3GSB0.88
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.88
GAB3-AMINOBENZOIC ACIDA3FHB0.88
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
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.78
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.78
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.7
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.7
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.77
26CA,B2F7I0.76
SX12-amino-5-bromobenzoic acidA,B3CIZ0.76
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.8
NABA,B1SRJ0.74
TY23-AMINO-L-TYROSINEA,B2VH30.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.74
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.73
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.78
HABA,B1SRE0.77
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.7
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.78
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.76
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.76
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.77
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.77
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.77
SOAISATOIC ANHYDRIDEA1BIO0.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.7
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A1EXA0.73
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.83
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.71
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.7
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.7
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.77
IBRA9EST0.78
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.75
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid
A,B3FMZ0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.72
3FTA2BXV0.73
A842-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-
1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-
5,6,7,8-TETRAHYDRONAPHTHALENE-1-
CARBOXYLIC ACID
A1YW90.77
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.78
3AB3-aminobenzamideA,B,C,D3GOY0.71
INUN-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-
2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE
A7UPJ0.71
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.72
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.77
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.72
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.79
BRFA1UUO0.71
MHBA,B1SRG0.77
AZY3-AZIDO-L-TYROSINEA2YXN0.72
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.72
FIH5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-
2-CARBOXYLIC ACID
A,B2D3Z0.72
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID
A,B1Q4L0.71
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.76
KYNKYNURENINEA,B,C,D2R2N0.73
KYNKYNURENINEA,B3E2Z0.73
KYNKYNURENINEA1XT70.73
KYNKYNURENINEA1T5M0.73
KYNKYNURENINEA1T5N0.73
KYNKYNURENINEA2VOV0.73
KYNKYNURENINEA2VOX0.73
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.82
FDN(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-
5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE
C,D,E2FYU0.7
AJH4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-
1,4-diazepan-1-yl}carbonyl)benzoic acid
A,B3EIO0.71
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.76
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.76
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.76
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.76
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.76
ILBA2FPT0.71
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.8
GBS4-GUANIDINOBENZOIC ACIDX2AH40.74
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.74
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.74
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.74
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.77
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.76
4FCA1YSG0.75
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.71
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71