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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00088151

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.71
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.73
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.74
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.71
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.76
GAB3-AMINOBENZOIC ACIDA,B3GSB0.76
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.76
GAB3-AMINOBENZOIC ACIDA3FHB0.76
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
MTBA,B1SRF0.72
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.76
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.74
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.71
DMBA,B1SRI0.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.81
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.73
NID4-NITRO-INDEN-1-ONEA,B1DOH0.73
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.71
HABA,B1SRE0.72
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
PPNPARA-NITROPHENYLALANINEI1YTJ0.7
KYNKYNURENINEA,B,C,D2R2N0.7
KYNKYNURENINEA,B3E2Z0.7
KYNKYNURENINEA1XT70.7
KYNKYNURENINEA1T5M0.7
KYNKYNURENINEA1T5N0.7
KYNKYNURENINEA2VOV0.7
KYNKYNURENINEA2VOX0.7
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.81
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.7
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.7
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.73
IBRA9EST0.7
PMAPYROMELLITIC ACIDA,B1FUP0.71
PAB4-AMINOBENZOIC ACIDA1PBD0.73
PAB4-AMINOBENZOIC ACIDB2DZA0.73
PAB4-AMINOBENZOIC ACIDA1IUS0.73
PAB4-AMINOBENZOIC ACIDA1IUU0.73
PAB4-AMINOBENZOIC ACIDA1IUT0.73
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.72
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.78
NABA,B1SRJ0.71
OSB2-SUCCINYLBENZOATEA1FHV0.72
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.72
OSB2-SUCCINYLBENZOATEA,B2QVH0.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.76
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.76
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.76
MHBA,B1SRG0.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.77
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.7
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.7
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
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.71
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.7
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.7
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.74
MR23-DIPHENOL-6-NITRO-3H-BENZO[DE]ISOCHROMEN-
1-ONE
A1TSM0.73