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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010937

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.74
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.78
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.72
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.76
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
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.7
HABA,B1SRE0.74
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.71
MTBA,B1SRF0.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.73
NID4-NITRO-INDEN-1-ONEA,B1DOH0.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.81
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.73
DMBA,B1SRI0.74
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.83
GAB3-AMINOBENZOIC ACIDA,B3GSB0.83
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.83
GAB3-AMINOBENZOIC ACIDA3FHB0.83
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
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.75
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.7
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.8
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.72
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.74
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.72
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.72
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.71
SX12-amino-5-bromobenzoic acidA,B3CIZ0.73
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.76
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.72
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.72
MHBA,B1SRG0.75
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.82
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.82
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.82
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.86
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.71
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.72
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.75
PAB4-AMINOBENZOIC ACIDA1PBD0.77
PAB4-AMINOBENZOIC ACIDB2DZA0.77
PAB4-AMINOBENZOIC ACIDA1IUS0.77
PAB4-AMINOBENZOIC ACIDA1IUU0.77
PAB4-AMINOBENZOIC ACIDA1IUT0.77
PPNPARA-NITROPHENYLALANINEI1YTJ0.74
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.71