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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00833869

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.74
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.75
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.75
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.8
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.71
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.73
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.74
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
A1VCJ0.73
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.75
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.71
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
P1JCM0.76
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBM0.76
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBL0.76
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBF0.76
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.76
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid
A,B3FMZ0.71
OXIOXOLINIC ACIDA,B1KSE0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.76
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.76
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.76
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.77
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.77
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.77
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
NFX7-[(3R)-3-aminopyrrolidin-1-yl]-
8-chloro-1-cyclopropyl-6-fluoro-
4-oxo-1,4-dihydroquinoline-3-carboxylic acid
F,H3FOE0.73
AVD1-(2-carboxyphenyl)-7-chloro-6-
[(2-chloro-4,6-difluorophenyl)amino]-
4-oxo-1,4-dihydroquinoline-3-carboxylic acid
A,B3CEM0.79
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.7
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID
A1NL90.71
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9V0.73
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.77
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.73
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
A,B3FCL0.72
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.71
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.76
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.79
KYNKYNURENINEA,B,C,D2R2N0.72
KYNKYNURENINEA,B3E2Z0.72
KYNKYNURENINEA1XT70.72
KYNKYNURENINEA1T5M0.72
KYNKYNURENINEA1T5N0.72
KYNKYNURENINEA2VOV0.72
KYNKYNURENINEA2VOX0.72
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.72
PAB4-AMINOBENZOIC ACIDA1PBD0.74
PAB4-AMINOBENZOIC ACIDB2DZA0.74
PAB4-AMINOBENZOIC ACIDA1IUS0.74
PAB4-AMINOBENZOIC ACIDA1IUU0.74
PAB4-AMINOBENZOIC ACIDA1IUT0.74
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.74
BE22-AMINOBENZOIC ACIDE,I1ZFP0.74
BE22-AMINOBENZOIC ACIDA,B2HU80.74
BE22-AMINOBENZOIC ACIDA,B1AN90.74
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.74
BE22-AMINOBENZOIC ACIDA,B2YR60.74
BE22-AMINOBENZOIC ACIDA,I1E8N0.74
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.74
BE22-AMINOBENZOIC ACIDA1C0I0.74
BE22-AMINOBENZOIC ACIDA,B2JB30.74
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.74
GBS4-GUANIDINOBENZOIC ACIDX2AH40.75
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.75
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.75
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.75
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.77
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.77
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.74
GAB3-AMINOBENZOIC ACIDA,B3GSB0.74
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.74
GAB3-AMINOBENZOIC ACIDA3FHB0.74
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.76
DQB4-[(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)METHYL]AMINO}BENZOYL)AMINO]BUTANOIC ACID
A1ZLY0.72
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.74
MIX1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-
9,10-ANTHRACENEDIONE
A,B,C,D2FUM0.72
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
CPF1-CYCLOPROPYL-6-FLUORO-4-OXO-7-
PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-
3-CARBOXYLIC ACID
A1OYE0.79
CPF1-CYCLOPROPYL-6-FLUORO-4-OXO-7-
PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-
3-CARBOXYLIC ACID
A1T9U0.79
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.71