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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004589

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UC41-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO-
2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE
A1RT70.7
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.75
3AB3-aminobenzamideA,B,C,D3GOY0.72
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.72
PAB4-AMINOBENZOIC ACIDA1PBD0.8
PAB4-AMINOBENZOIC ACIDB2DZA0.8
PAB4-AMINOBENZOIC ACIDA1IUS0.8
PAB4-AMINOBENZOIC ACIDA1IUU0.8
PAB4-AMINOBENZOIC ACIDA1IUT0.8
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.72
HABA,B1SRE0.74
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.79
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.72
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.79
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.76
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.75
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.7
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.7
DMBA,B1SRI0.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.72
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.7
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.77
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.72
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.8
BE22-AMINOBENZOIC ACIDE,I1ZFP0.8
BE22-AMINOBENZOIC ACIDA,B2HU80.8
BE22-AMINOBENZOIC ACIDA,B1AN90.8
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.8
BE22-AMINOBENZOIC ACIDA,B2YR60.8
BE22-AMINOBENZOIC ACIDA,I1E8N0.8
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.8
BE22-AMINOBENZOIC ACIDA1C0I0.8
BE22-AMINOBENZOIC ACIDA,B2JB30.8
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.8
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.73
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.7
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.7
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.73
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.7
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.71
MTBA,B1SRF0.71
SX12-amino-5-bromobenzoic acidA,B3CIZ0.73
IBRA9EST0.77
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.86
GAB3-AMINOBENZOIC ACIDA,B3GSB0.86
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.86
GAB3-AMINOBENZOIC ACIDA3FHB0.86
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.7
GBS4-GUANIDINOBENZOIC ACIDX2AH40.72
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.72
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.72
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.72
MHBA,B1SRG0.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.73
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.71
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.71
3MB3-METHOXYBENZAMIDEA3PAX0.7
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE
A1RT60.76
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.74
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.78
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.78
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.72