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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03158454

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DMBA,B1SRI0.72
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.73
BRYA2BHE0.75
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.81
HABA,B1SRE0.73
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.73
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.71
DZ22,5-dichloro-N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3ESO0.75
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
A,B3DY60.73
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.79
BE22-AMINOBENZOIC ACIDE,I1ZFP0.79
BE22-AMINOBENZOIC ACIDA,B2HU80.79
BE22-AMINOBENZOIC ACIDA,B1AN90.79
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.79
BE22-AMINOBENZOIC ACIDA,B2YR60.79
BE22-AMINOBENZOIC ACIDA,I1E8N0.79
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.79
BE22-AMINOBENZOIC ACIDA1C0I0.79
BE22-AMINOBENZOIC ACIDA,B2JB30.79
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.79
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.82
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.76
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
A195-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACIDA2GA20.77
SX6N-(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)-4-morpholin-
4-yl-4-oxobutanamide
A,B3CJ50.71
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.73
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.77
AAA(2-ACETYL-5-METHYLANILINO)(2,6-
DIBROMOPHENYL)ACETAMIDE
A1HNI0.71
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.78
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.7
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.72
SX12-amino-5-bromobenzoic acidA,B3CIZ0.87
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID
A1ONY0.72
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.78
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID
A1NZ70.71
IPC3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A1YVX0.7
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID
A,B1Q4L0.72
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.76
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.75
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.74
3FTA2BXV0.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.87
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.87
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.87
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
BBM5-BROMO-N-(2,3-DIHYDROXYPROPOXY)-
3,4-DIFLUORO-2-[(2-FLUORO-4-IODOPHENYL)AMINO]BENZAMIDE
A1S9J0.78
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.74
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.8
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.8
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.8
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide
A,B3ESN0.78
PAB4-AMINOBENZOIC ACIDA1PBD0.73
PAB4-AMINOBENZOIC ACIDB2DZA0.73
PAB4-AMINOBENZOIC ACIDA1IUS0.73
PAB4-AMINOBENZOIC ACIDA1IUU0.73
PAB4-AMINOBENZOIC ACIDA1IUT0.73
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.75
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide
A,B3ESP0.77
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.8
MRA2-[(4-ETHYNYL-2-FLUOROPHENYL)AMINO]-
3,4-DIFLUORO-N-(2-HYDROXYETHOXY)BENZAMIDE
A2P550.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.84
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.88
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid
A,B3CJ40.79
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.83
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID
A1NL90.72
MHBA,B1SRG0.72
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.71
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.74
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.74
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.74
GAB3-AMINOBENZOIC ACIDA,B3GSB0.74
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.74
GAB3-AMINOBENZOIC ACIDA3FHB0.74
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid
A,B3FMZ0.78
GBS4-GUANIDINOBENZOIC ACIDX2AH40.73
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.73
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.73
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.73
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.74
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.75
SX34-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}aniline
A,B3CJ20.73
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
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.71
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.71
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.79
4BMN-{[(2R)-2,3-dihydroxypropyl]oxy}-
3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide
A3EQG0.71
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
P1JCM0.72
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBM0.72
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBL0.72
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBF0.72
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.77