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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02257181

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.73
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.74
NABA,B1SRJ0.72
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.73
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.73
HABA,B1SRE0.75
IBRA9EST0.71
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.76
NIYMETA-NITRO-TYROSINEA2ADP0.73
NIYMETA-NITRO-TYROSINEA3DIV0.73
NIYMETA-NITRO-TYROSINEA2H5U0.73
NIYMETA-NITRO-TYROSINEA1K4Q0.73
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.82
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.72
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.73
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.75
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.82
BE22-AMINOBENZOIC ACIDE,I1ZFP0.82
BE22-AMINOBENZOIC ACIDA,B2HU80.82
BE22-AMINOBENZOIC ACIDA,B1AN90.82
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.82
BE22-AMINOBENZOIC ACIDA,B2YR60.82
BE22-AMINOBENZOIC ACIDA,I1E8N0.82
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.82
BE22-AMINOBENZOIC ACIDA1C0I0.82
BE22-AMINOBENZOIC ACIDA,B2JB30.82
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.82
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.71
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.72
MTBA,B1SRF0.73
DMBA,B1SRI0.74
SX12-amino-5-bromobenzoic acidA,B3CIZ0.76
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.73
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.82
GAB3-AMINOBENZOIC ACIDA,B3GSB0.82
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.82
GAB3-AMINOBENZOIC ACIDA3FHB0.82
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.72
NID4-NITRO-INDEN-1-ONEA,B1DOH0.73
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.74
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.73
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.72
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.73
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.72
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.79
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.7
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.73
MHBA,B1SRG0.74
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.78
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.74
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.71
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.78
KYNKYNURENINEA,B,C,D2R2N0.75
KYNKYNURENINEA,B3E2Z0.75
KYNKYNURENINEA1XT70.75
KYNKYNURENINEA1T5M0.75
KYNKYNURENINEA1T5N0.75
KYNKYNURENINEA2VOV0.75
KYNKYNURENINEA2VOX0.75
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.82
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.82
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.82
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.72
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.76
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.7
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.75
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.73
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.71
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.71
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.71
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.71
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.71
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.7
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.7
PAB4-AMINOBENZOIC ACIDA1PBD0.77
PAB4-AMINOBENZOIC ACIDB2DZA0.77
PAB4-AMINOBENZOIC ACIDA1IUS0.77
PAB4-AMINOBENZOIC ACIDA1IUU0.77
PAB4-AMINOBENZOIC ACIDA1IUT0.77
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.73
PPNPARA-NITROPHENYLALANINEI1YTJ0.74
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.73