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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02213549

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.7
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.73
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.76
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.77
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.73
NIYMETA-NITRO-TYROSINEA2ADP0.73
NIYMETA-NITRO-TYROSINEA3DIV0.73
NIYMETA-NITRO-TYROSINEA2H5U0.73
NIYMETA-NITRO-TYROSINEA1K4Q0.73
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.73
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.77
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.73
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.71
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.75
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.83
4NB4-NITROBENZOIC ACIDA,B3CHT0.88
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.82
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.72
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.82
GAB3-AMINOBENZOIC ACIDA,B3GSB0.82
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.82
GAB3-AMINOBENZOIC ACIDA3FHB0.82
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.74
MHBA,B1SRG0.79
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.71
NID4-NITRO-INDEN-1-ONEA,B1DOH0.73
HABA,B1SRE0.78
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.75
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.72
NABA,B1SRJ0.73
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
PAB4-AMINOBENZOIC ACIDA1PBD0.79
PAB4-AMINOBENZOIC ACIDB2DZA0.79
PAB4-AMINOBENZOIC ACIDA1IUS0.79
PAB4-AMINOBENZOIC ACIDA1IUU0.79
PAB4-AMINOBENZOIC ACIDA1IUT0.79
SX12-amino-5-bromobenzoic acidA,B3CIZ0.79
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.7
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.7
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.7
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.7
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.7
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.76
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.76
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.77
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.78
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.81
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.75
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.77
MTBA,B1SRF0.76
DMBA,B1SRI0.79
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.8
NCR2-NITRO-P-CRESOLA,B1AHV0.7
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
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.76
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.76
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.72
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.77
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.72
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.7
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.74
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
KYNKYNURENINEA,B,C,D2R2N0.74
KYNKYNURENINEA,B3E2Z0.74
KYNKYNURENINEA1XT70.74
KYNKYNURENINEA1T5M0.74
KYNKYNURENINEA1T5N0.74
KYNKYNURENINEA2VOV0.74
KYNKYNURENINEA2VOX0.74
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.77
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.71
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID
A,B2IVD0.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.74
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.75