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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02852701

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.73
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE
E8EST0.74
NN33-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A,B2GIR0.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.82
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.82
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.74
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9V0.72
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.8
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.74
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.76
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.73
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.76
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
MTBA,B1SRF0.72
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
2OZR0.72
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.72
GF7(3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A3GQZ0.73
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.74
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.74
IPC3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A1YVX0.72
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
A1VCJ0.72
FEXA1OSH0.7
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID
A2F710.7
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.72
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.75
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID
A,B1Q4L0.72
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.73
XINmethyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-
1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-
2-oxo-2,3-dihydro-1H-indole-6-carboxylate
A3C7Q0.7
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID
A1NL90.71
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.76
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.77
GAB3-AMINOBENZOIC ACIDA,B3GSB0.77
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.77
GAB3-AMINOBENZOIC ACIDA3FHB0.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.75
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.7
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.8
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.72
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.72
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid
A,B3FMZ0.74
GBS4-GUANIDINOBENZOIC ACIDX2AH40.72
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.72
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.72
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.72
DMBA,B1SRI0.71
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.73
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.7
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE
A1RT60.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.78
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.76
CBLCHLORAMBUCILA,B3CSJ0.83
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.71
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.72
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.74
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.74
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.73
BE22-AMINOBENZOIC ACIDE,I1ZFP0.73
BE22-AMINOBENZOIC ACIDA,B2HU80.73
BE22-AMINOBENZOIC ACIDA,B1AN90.73
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.73
BE22-AMINOBENZOIC ACIDA,B2YR60.73
BE22-AMINOBENZOIC ACIDA,I1E8N0.73
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.73
BE22-AMINOBENZOIC ACIDA1C0I0.73
BE22-AMINOBENZOIC ACIDA,B2JB30.73
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.73
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.77
MHBA,B1SRG0.7
PAB4-AMINOBENZOIC ACIDA1PBD0.72
PAB4-AMINOBENZOIC ACIDB2DZA0.72
PAB4-AMINOBENZOIC ACIDA1IUS0.72
PAB4-AMINOBENZOIC ACIDA1IUU0.72
PAB4-AMINOBENZOIC ACIDA1IUT0.72
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
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.76