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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02755572

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XINmethyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-
1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-
2-oxo-2,3-dihydro-1H-indole-6-carboxylate
A3C7Q0.74
DZ22,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3ESO0.73
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.8
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.74
BBM5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-
3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE
A1S9J0.71
GBS4-GUANIDINOBENZOIC ACIDX2AH40.71
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.71
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.71
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.71
575(4Z)-6-bromo-4-({[4-(pyrrolidin-
1-ylmethyl)phenyl]amino}methylidene)isoquinoline-
1,3(2H,4H)-dione
A,B,C,D2ZM30.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.8
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.7
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.71
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide
A,B3ESP0.76
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.78
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.72
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID
A,B1Q4L0.74
A195-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACIDA2GA20.72
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.73
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.77
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.78
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.78
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.78
PAB4-AMINOBENZOIC ACIDA1PBD0.71
PAB4-AMINOBENZOIC ACIDB2DZA0.71
PAB4-AMINOBENZOIC ACIDA1IUS0.71
PAB4-AMINOBENZOIC ACIDA1IUU0.71
PAB4-AMINOBENZOIC ACIDA1IUT0.71
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.74
ISNISATINA,B1OJA0.72
ISNISATINA,B2BK50.72
4464-[(4-{[6-bromo-3-(methoxycarbonyl)-
1-oxo-4-phenylisoquinolin-2(1H)-
yl]methyl}phenyl)amino]-4-oxobutanoic acid
A2ZDU0.71
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.74
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.72
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.72
SX12-amino-5-bromobenzoic acidA,B3CIZ0.79
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
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
BRYA2BHE0.8
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid
A,B3CJ40.76
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.7
BRW6-BROMOINDIRUBIN-3'-OXIMEA1UV50.76
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide
A,B3ESN0.77
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1Q410.71
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1UNH0.71
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A2QKR0.71
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.74
NNBO-[2-(1,3-dioxo-1,3-dihydro-2H-
isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate
A2VG60.74
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9V0.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.72
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.71
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
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.76
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.76
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.75
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
A1VCJ0.71
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE
A,B1EH40.71
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.75
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.73
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.73
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.76
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
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid
A,B3FMZ0.72
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.77
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.73
GAB3-AMINOBENZOIC ACIDA,B3GSB0.73
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.73
GAB3-AMINOBENZOIC ACIDA3FHB0.73