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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02320285

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.75
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.75
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.75
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.75
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.78
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.75
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.75
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9V0.7
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.77
DMBA,B1SRI0.78
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.71
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.73
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.71
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.78
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.74
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.74
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.74
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.76
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.82
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.77
BRV5-amino-2,4,6-tribromobenzene-1,3-
dicarboxylic acid
A3GT30.71
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.77
3AB3-aminobenzamideA,B,C,D3GOY0.74
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.71
MHBA,B1SRG0.79
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.77
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.77
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.77
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.77
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.77
HABA,B1SRE0.78
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.8
MTBA,B1SRF0.75
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.72
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
A1VCJ0.7
NABA,B1SRJ0.73
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.72
SX12-amino-5-bromobenzoic acidA,B3CIZ0.79
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.73
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.72
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.78
TY23-AMINO-L-TYROSINEA,B2VH30.74
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.83
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.8
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.91
GAB3-AMINOBENZOIC ACIDA,B3GSB0.91
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.91
GAB3-AMINOBENZOIC ACIDA3FHB0.91
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.71
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.77
PAB4-AMINOBENZOIC ACIDA1PBD0.85
PAB4-AMINOBENZOIC ACIDB2DZA0.85
PAB4-AMINOBENZOIC ACIDA1IUS0.85
PAB4-AMINOBENZOIC ACIDA1IUU0.85
PAB4-AMINOBENZOIC ACIDA1IUT0.85
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.73
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.73
SOAISATOIC ANHYDRIDEA1BIO0.73
4MA4-METHYLBENZOIC ACIDA,H2HRG0.74
KYNKYNURENINEA,B,C,D2R2N0.77
KYNKYNURENINEA,B3E2Z0.77
KYNKYNURENINEA1XT70.77
KYNKYNURENINEA1T5M0.77
KYNKYNURENINEA1T5N0.77
KYNKYNURENINEA2VOV0.77
KYNKYNURENINEA2VOX0.77
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.72
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
GBS4-GUANIDINOBENZOIC ACIDX2AH40.77
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.77
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.77
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.77
AZY3-AZIDO-L-TYROSINEA2YXN0.73
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.8
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.78
IBRA9EST0.75
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.78
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.76
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.76
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.7
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.82
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.76
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.76
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.79
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.79
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.79
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.77
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.78
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.78
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.78
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.76
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.78
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.78
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE
E8EST0.71
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.76