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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021687

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.75
4NB4-NITROBENZOIC ACIDA,B3CHT0.9
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
GBS4-GUANIDINOBENZOIC ACIDX2AH40.71
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.71
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.71
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.71
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.75
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.75
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.73
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.78
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.76
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.77
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.74
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.75
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.71
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.81
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.75
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
PAB4-AMINOBENZOIC ACIDA1PBD0.81
PAB4-AMINOBENZOIC ACIDB2DZA0.81
PAB4-AMINOBENZOIC ACIDA1IUS0.81
PAB4-AMINOBENZOIC ACIDA1IUU0.81
PAB4-AMINOBENZOIC ACIDA1IUT0.81
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.71
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
HABA,B1SRE0.78
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.8
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.77
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.89
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.89
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.89
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.71
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.7
SX12-amino-5-bromobenzoic acidA,B3CIZ0.79
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.74
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
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.8
GAB3-AMINOBENZOIC ACIDA,B3GSB0.8
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.8
GAB3-AMINOBENZOIC ACIDA3FHB0.8
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.85
NID4-NITRO-INDEN-1-ONEA,B1DOH0.71
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.75
MTBA,B1SRF0.76
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.76
A842-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-
1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-
5,6,7,8-TETRAHYDRONAPHTHALENE-1-
CARBOXYLIC ACID
A1YW90.7
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.8
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.76
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.86
BE22-AMINOBENZOIC ACIDE,I1ZFP0.86
BE22-AMINOBENZOIC ACIDA,B2HU80.86
BE22-AMINOBENZOIC ACIDA,B1AN90.86
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.86
BE22-AMINOBENZOIC ACIDA,B2YR60.86
BE22-AMINOBENZOIC ACIDA,I1E8N0.86
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.86
BE22-AMINOBENZOIC ACIDA1C0I0.86
BE22-AMINOBENZOIC ACIDA,B2JB30.86
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.86
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.77
NABA,B1SRJ0.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.78
PPNPARA-NITROPHENYLALANINEI1YTJ0.75
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.71
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.73
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.77
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.77
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.7
KYNKYNURENINEA,B,C,D2R2N0.73
KYNKYNURENINEA,B3E2Z0.73
KYNKYNURENINEA1XT70.73
KYNKYNURENINEA1T5M0.73
KYNKYNURENINEA1T5N0.73
KYNKYNURENINEA2VOV0.73
KYNKYNURENINEA2VOX0.73
DMBA,B1SRI0.8
MHBA,B1SRG0.78
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.77
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71