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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02339763

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.75
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.74
DMBA,B1SRI0.77
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.81
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.71
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.71
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.74
HABA,B1SRE0.75
IBRA9EST0.76
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.73
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.77
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.75
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.71
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.7
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.74
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.74
NABA,B1SRJ0.74
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
PAB4-AMINOBENZOIC ACIDA1PBD0.81
PAB4-AMINOBENZOIC ACIDB2DZA0.81
PAB4-AMINOBENZOIC ACIDA1IUS0.81
PAB4-AMINOBENZOIC ACIDA1IUU0.81
PAB4-AMINOBENZOIC ACIDA1IUT0.81
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.72
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.77
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.77
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.77
MTBA,B1SRF0.75
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.79
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID
A2F710.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.8
BE22-AMINOBENZOIC ACIDE,I1ZFP0.8
BE22-AMINOBENZOIC ACIDA,B2HU80.8
BE22-AMINOBENZOIC ACIDA,B1AN90.8
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.8
BE22-AMINOBENZOIC ACIDA,B2YR60.8
BE22-AMINOBENZOIC ACIDA,I1E8N0.8
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.8
BE22-AMINOBENZOIC ACIDA1C0I0.8
BE22-AMINOBENZOIC ACIDA,B2JB30.8
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.8
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.7
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A4LBD0.72
9613-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A1EXX0.72
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.72
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.72
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.72
TY23-AMINO-L-TYROSINEA,B2VH30.71
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.72
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.72
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.77
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.75
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.74
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.74
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.71
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,D2FZK0.71
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.76
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.77
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.78
4NB4-NITROBENZOIC ACIDA,B3CHT0.74
KYNKYNURENINEA,B,C,D2R2N0.77
KYNKYNURENINEA,B3E2Z0.77
KYNKYNURENINEA1XT70.77
KYNKYNURENINEA1T5M0.77
KYNKYNURENINEA1T5N0.77
KYNKYNURENINEA2VOV0.77
KYNKYNURENINEA2VOX0.77
4FCA1YSG0.7
SX12-amino-5-bromobenzoic acidA,B3CIZ0.74
MHBA,B1SRG0.75
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.76
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.76
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.75
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
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid
A,B3FMZ0.7
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.84
GAB3-AMINOBENZOIC ACIDA,B3GSB0.84
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.84
GAB3-AMINOBENZOIC ACIDA3FHB0.84
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.74
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.76
GBS4-GUANIDINOBENZOIC ACIDX2AH40.73
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.73
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.73
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.7
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.74
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.71
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.7
AZY3-AZIDO-L-TYROSINEA2YXN0.7
394R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8-
TETRAMETHYL-5,6,7,8,-TETRAHYDRO-
NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID
A1EXA0.72
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.72
OSB2-SUCCINYLBENZOATEA1FHV0.74
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.74
OSB2-SUCCINYLBENZOATEA,B2QVH0.74
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.71