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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00045745

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.74
3AB3-aminobenzamideA,B,C,D3GOY0.72
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.83
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.83
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.83
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.81
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.73
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.73
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.74
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.74
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.74
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.74
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.74
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.79
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.74
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.75
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.74
PAB4-AMINOBENZOIC ACIDA1PBD0.83
PAB4-AMINOBENZOIC ACIDB2DZA0.83
PAB4-AMINOBENZOIC ACIDA1IUS0.83
PAB4-AMINOBENZOIC ACIDA1IUU0.83
PAB4-AMINOBENZOIC ACIDA1IUT0.83
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.74
C9P4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-
2-yl]sulfonyl}amino)benzoic acid
A,B3BM60.73
MTBA,B1SRF0.77
SX12-amino-5-bromobenzoic acidA,B3CIZ0.83
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.75
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.73
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.75
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.82
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.73
TY23-AMINO-L-TYROSINEA,B2VH30.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.74
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.74
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.74
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.75
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.78
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.78
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.78
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.8
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.78
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.78
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.72
NABA,B1SRJ0.74
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.76
4NB4-NITROBENZOIC ACIDA,B3CHT0.76
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID
A,B1Q4L0.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.71
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.75
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.82
AZY3-AZIDO-L-TYROSINEA2YXN0.71
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.74
MHBA,B1SRG0.81
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.76
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.76
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.77
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.77
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.77
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.75
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.8
A195-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACIDA2GA20.71
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.7
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.82
KYNKYNURENINEA,B,C,D2R2N0.78
KYNKYNURENINEA,B3E2Z0.78
KYNKYNURENINEA1XT70.78
KYNKYNURENINEA1T5M0.78
KYNKYNURENINEA1T5N0.78
KYNKYNURENINEA2VOV0.78
KYNKYNURENINEA2VOX0.78
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.7
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
P1JCM0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBM0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBL0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBF0.73
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.91
BE22-AMINOBENZOIC ACIDE,I1ZFP0.91
BE22-AMINOBENZOIC ACIDA,B2HU80.91
BE22-AMINOBENZOIC ACIDA,B1AN90.91
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.91
BE22-AMINOBENZOIC ACIDA,B2YR60.91
BE22-AMINOBENZOIC ACIDA,I1E8N0.91
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.91
BE22-AMINOBENZOIC ACIDA1C0I0.91
BE22-AMINOBENZOIC ACIDA,B2JB30.91
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.91
A842-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-
1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-
5,6,7,8-TETRAHYDRONAPHTHALENE-1-
CARBOXYLIC ACID
A1YW90.72
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.76
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.78
GBS4-GUANIDINOBENZOIC ACIDX2AH40.77
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.77
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.77
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.77
HABA,B1SRE0.81
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.81
SOAISATOIC ANHYDRIDEA1BIO0.72
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFW0.7
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFX0.7
IBRA9EST0.73
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.72
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.82
DMBA,B1SRI0.8
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid
A,B3FMZ0.72
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE
E8EST0.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.72
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.89
GAB3-AMINOBENZOIC ACIDA,B3GSB0.89
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.89
GAB3-AMINOBENZOIC ACIDA3FHB0.89