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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00836876

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
NN33-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID		A,B2GIR0.71
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID		A1ONZ0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3F060.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZP0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A3EW80.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A,B3EZT0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE		A1T670.71
RAI1-(4-CARBOXY-2-GUANIDINOPENTYL)-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9T0.75
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.82
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.82
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE		A1YXV0.73
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.8
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID		A2GG70.76
SX54-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid		A,B3CJ40.7
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.78
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid		A3EB10.76
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE		B2G630.7
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.73
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.82
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE		A1B9V0.78
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.7
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.7
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.73
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.79
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.7
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.7
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.7
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H		1F8S0.76
BE22-AMINOBENZOIC ACIDE,I1ZFP0.76
BE22-AMINOBENZOIC ACIDA,B2HU80.76
BE22-AMINOBENZOIC ACIDA,B1AN90.76
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.76
BE22-AMINOBENZOIC ACIDA,B2YR60.76
BE22-AMINOBENZOIC ACIDA,I1E8N0.76
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.76
BE22-AMINOBENZOIC ACIDA1C0I0.76
BE22-AMINOBENZOIC ACIDA,B2JB30.76
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.76
IPC3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID		A1YVX0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		P1JCM0.71
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBM0.71
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBL0.71
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBF0.71
C164-(4-methyl-1,3-dioxo-1,3-dihydro-
2H-isoindol-2-yl)benzonitrile		A3BNZ0.71
SX12-amino-5-bromobenzoic acidA,B3CIZ0.71
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.83
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.79
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.79
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.79
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.71
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXA0.71
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.71
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.78
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.71
DMBA,B1SRI0.73
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID		A1VCJ0.78
HABA,B1SRE0.72
ISNISATINA,B1OJA0.7
ISNISATINA,B2BK50.7
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.78
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID		G4GCH0.71
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.77
GG14-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-
1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-
3(2H)-YL]METHYL}BENZOIC ACID		A,B,C,D,E,F,
G,H		2OZR0.74
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.8
GAB3-AMINOBENZOIC ACIDA,B3GSB0.8
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.8
GAB3-AMINOBENZOIC ACIDA3FHB0.8
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE		A1AMN0.73
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE		A,B2H9Y0.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BYX0.77
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3BZ00.77
PAB4-AMINOBENZOIC ACIDA1PBD0.75
PAB4-AMINOBENZOIC ACIDB2DZA0.75
PAB4-AMINOBENZOIC ACIDA1IUS0.75
PAB4-AMINOBENZOIC ACIDA1IUU0.75
PAB4-AMINOBENZOIC ACIDA1IUT0.75
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid		A,B3GVB0.72
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.81
WH62-[(1R)-2-carboxy-1-(naphthalen-
1-ylmethyl)ethyl]-1,3-dioxo-2,3-
dihydro-1H-isoindole-5-carboxylic acid		A,B2R9X0.7
072(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-
2-HEPTYL-4-OXO-5-THIAZOLIDINE		A,B,C,D4PRG0.72
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE		A1YXX0.71
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.73
MHBA,B1SRG0.73
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.83
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.83
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.83
CBLCHLORAMBUCILA,B3CSJ0.71
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.7
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.72
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.8
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.81
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.81
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.74
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid		A3GQZ0.8
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.78
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A4LBD0.71
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID		A1EXX0.71
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide		A2VJ90.7
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.71
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.77
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID		A,B1Q4L0.76
VBP4-({3-[(2R)-2-amino-2-carboxyethyl]-
2,6-dioxo-3,6-dihydropyrimidin-
1(2H)-yl}methyl)benzoic acid		B,E,G,H,J,L,
N,P		3H060.71
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.73
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.81
GBS4-GUANIDINOBENZOIC ACIDX2AH40.74
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.74
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.74
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.74
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE		C2IPK0.74
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.79
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE		E8EST0.71
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID		A1NL90.7