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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00089042

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OSB2-SUCCINYLBENZOATEA1FHV0.71
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.71
OSB2-SUCCINYLBENZOATEA,B2QVH0.71
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.74
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.76
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.77
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.77
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.77
MHBA,B1SRG0.82
GBS4-GUANIDINOBENZOIC ACIDX2AH40.76
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.76
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.76
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.76
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.84
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.84
KYNKYNURENINEA,B,C,D2R2N0.81
KYNKYNURENINEA,B3E2Z0.81
KYNKYNURENINEA1XT70.81
KYNKYNURENINEA1T5M0.81
KYNKYNURENINEA1T5N0.81
KYNKYNURENINEA2VOV0.81
KYNKYNURENINEA2VOX0.81
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.84
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.74
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.81
HABA,B1SRE0.84
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
A,B3FCL0.71
MOBA,B1SRH0.7
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID
A2F710.74
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID
A1ONY0.74
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.83
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.75
C9P4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-
2-yl]sulfonyl}amino)benzoic acid
A,B3BM60.75
SX12-amino-5-bromobenzoic acidA,B3CIZ0.82
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.75
HNA1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONEA1M2P0.71
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.74
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
A,B3DY60.74
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.72
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.88
TY23-AMINO-L-TYROSINEA,B2VH30.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.73
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.73
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.73
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.73
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.73
A842-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-
1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-
5,6,7,8-TETRAHYDRONAPHTHALENE-1-
CARBOXYLIC ACID
A1YW90.79
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
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.78
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.78
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.73
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFW0.71
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFX0.71
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.72
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.72
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.78
A195-BROMO-2-{[(4-CHLOROPHENYL)SULFONYL]AMINO}BENZOIC ACIDA2GA20.75
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.72
DMBA,B1SRI0.84
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.83
GAB3-AMINOBENZOIC ACIDA,B3GSB0.83
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.83
GAB3-AMINOBENZOIC ACIDA3FHB0.83
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine
A,B3DD10.71
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.77
GG14-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-
1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-
3(2H)-YL]METHYL}BENZOIC ACID
A,B,C,D,E,F,
G,H
2OZR0.73
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.79
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.72
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.78
CCT5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-
2-CARBOXYLIC ACID
A,B2D3U0.73
EJ54-[3-(2-amino-4-hydroxy-6-oxo-1,6-
dihydropyrimidin-5-yl)propyl]benzoic acid
X3EJ50.71
AZY3-AZIDO-L-TYROSINEA2YXN0.71
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.9
BE22-AMINOBENZOIC ACIDE,I1ZFP0.9
BE22-AMINOBENZOIC ACIDA,B2HU80.9
BE22-AMINOBENZOIC ACIDA,B1AN90.9
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.9
BE22-AMINOBENZOIC ACIDA,B2YR60.9
BE22-AMINOBENZOIC ACIDA,I1E8N0.9
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.9
BE22-AMINOBENZOIC ACIDA1C0I0.9
BE22-AMINOBENZOIC ACIDA,B2JB30.9
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.9
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.76
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.76
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.76
UBC(S)-1-(2-AMINO-2-CARBOXYETHYL)-
3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-
DIONE
A,B2F350.71
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.77
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.77
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.77
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.7
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
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.73
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.85
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.77
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.77
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.81
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.8
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.71
NABA,B1SRJ0.79
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.78
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.71
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.84
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.84
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.84
6CAA2FLM0.72
FBCA,B2B9A0.72
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.77
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.74
PAB4-AMINOBENZOIC ACIDA1PBD0.84
PAB4-AMINOBENZOIC ACIDB2DZA0.84
PAB4-AMINOBENZOIC ACIDA1IUS0.84
PAB4-AMINOBENZOIC ACIDA1IUU0.84
PAB4-AMINOBENZOIC ACIDA1IUT0.84
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.83
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID
A1NL90.75
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.7
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID
A1NZ70.73
PPNPARA-NITROPHENYLALANINEI1YTJ0.72
FIH5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-
2-CARBOXYLIC ACID
A,B2D3Z0.73
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.73
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.73
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.73
SOAISATOIC ANHYDRIDEA1BIO0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.7
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.7
44CA2FBR0.72
VBP4-({3-[(2R)-2-amino-2-carboxyethyl]-
2,6-dioxo-3,6-dihydropyrimidin-
1(2H)-yl}methyl)benzoic acid
B,E,G,H,J,L,
N,P
3H060.71
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID
A1ONZ0.71
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.74
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID
A,B1Q4L0.71
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.71
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.74
4FCA1YSG0.73
IBRA9EST0.74
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.72
AJH4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-
1,4-diazepan-1-yl}carbonyl)benzoic acid
A,B3EIO0.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.77
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid
A,B3FMZ0.77
MTBA,B1SRF0.82
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
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.84
3FTA2BXV0.7
SNHA,B2D410.72
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.76
26CA,B2F7I0.72
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
P1JCM0.72
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBM0.72
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBL0.72
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE
A1LBF0.72
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.7
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.7