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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006121

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4NB4-NITROBENZOIC ACIDA,B3CHT0.8
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.75
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.8
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.76
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.82
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.82
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.72
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID
A1C840.75
A752-[(PHENYLSULFONYL)AMINO]-5,6,7,8-
TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID
A1YW80.74
BEZBENZOIC ACIDA,B2F8D0.73
BEZBENZOIC ACIDA,B1A8U0.73
BEZBENZOIC ACIDA,B1REE0.73
BEZBENZOIC ACIDA1L7Q0.73
BEZBENZOIC ACIDA1I690.73
BEZBENZOIC ACIDH,L1RUL0.73
BEZBENZOIC ACIDA,B3CCF0.73
BEZBENZOIC ACIDA1W9Q0.73
BEZBENZOIC ACIDA,B,G,J2DU80.73
BEZBENZOIC ACIDH,L1RUA0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1H4O0.73
BEZBENZOIC ACIDH,L1RU90.73
BEZBENZOIC ACIDA,B,C,D2V320.73
BEZBENZOIC ACIDA2QMQ0.73
BEZBENZOIC ACIDA1UKB0.73
BEZBENZOIC ACIDA,B1RED0.73
BEZBENZOIC ACIDA,B1OC30.73
BEZBENZOIC ACIDA,B1REF0.73
BEZBENZOIC ACIDA,B2O020.73
BEZBENZOIC ACIDA,B2VJ10.73
BEZBENZOIC ACIDA,B,C1WSP0.73
BEZBENZOIC ACIDA1HZ40.73
BEZBENZOIC ACIDA2Q380.73
BEZBENZOIC ACIDA,B,C,D1UUJ0.73
BEZBENZOIC ACIDA,B2QL80.73
BEZBENZOIC ACIDA2Q0I0.73
BEZBENZOIC ACIDA,B1S8F0.73
BEZBENZOIC ACIDD,E,F,G,H1DJR0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I
1ONI0.73
BEZBENZOIC ACIDA,B,C,D1I7Q0.73
BEZBENZOIC ACIDA,B,C,D2RHM0.73
BEZBENZOIC ACIDA,B2F780.73
BEZBENZOIC ACIDA,B2VL20.73
BEZBENZOIC ACIDA1HD20.73
BEZBENZOIC ACIDA1JU40.73
BEZBENZOIC ACIDH,L2AJY0.73
BEZBENZOIC ACIDA,B,C3GV10.73
BEZBENZOIC ACIDA2Q6U0.73
BEZBENZOIC ACIDA,B1VE90.73
BEZBENZOIC ACIDA,B1S9A0.73
BEZBENZOIC ACIDH,L,M1OP30.73
BEZBENZOIC ACIDA1W9E0.73
BEZBENZOIC ACIDA,B,C,D2V2G0.73
BEZBENZOIC ACIDH,L2AK10.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
2V410.73
BEZBENZOIC ACIDA,B1GYX0.73
BEZBENZOIC ACIDA1V1T0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.73
BEZBENZOIC ACIDA,B1HKQ0.73
BEZBENZOIC ACIDH,L1RUK0.73
BEZBENZOIC ACIDA2Q1B0.73
BEZBENZOIC ACIDH,L1RUM0.73
BEZBENZOIC ACIDA,B2F7A0.73
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H
1KIF0.73
BEZBENZOIC ACIDA,B2V7B0.73
BEZBENZOIC ACIDH1NCW0.73
BEZBENZOIC ACIDA,B1TMX0.73
BEZBENZOIC ACIDA1URM0.73
BEZBENZOIC ACIDA1W9O0.73
BEZBENZOIC ACIDA,B,C,D1GXS0.73
BEZBENZOIC ACIDH1RUP0.73
BEZBENZOIC ACIDA,B,C,D1KQB0.73
BEZBENZOIC ACIDA2Q9R0.73
BEZBENZOIC ACIDD,H2OK60.73
BEZBENZOIC ACIDA,B2Q0J0.73
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.71
LZQ4-[3-(dibenzylamino)phenyl]-2,4-
dioxobutanoic acid
A3EB10.71
F773-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}-
2-METHYLBENZOIC ACID
A2EA20.75
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.7
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.7
GISETHYL-(2-CARBOXY-4-GUANIDINIUM-
PHENYL)-CHLOROACETATE
E8EST0.73
MTBA,B1SRF0.77
KYNKYNURENINEA,B,C,D2R2N0.79
KYNKYNURENINEA,B3E2Z0.79
KYNKYNURENINEA1XT70.79
KYNKYNURENINEA1T5M0.79
KYNKYNURENINEA1T5N0.79
KYNKYNURENINEA2VOV0.79
KYNKYNURENINEA2VOX0.79
4FCA1YSG0.71
SX12-amino-5-bromobenzoic acidA,B3CIZ0.82
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.73
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.73
PG9D-PHENYLGLYCINEA,B,G,H10GS0.72
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.72
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.78
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.78
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.73
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID
A2BXN0.77
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.71
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.71
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.71
NABA,B1SRJ0.74
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.81
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.82
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.77
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
PAB4-AMINOBENZOIC ACIDA1PBD0.88
PAB4-AMINOBENZOIC ACIDB2DZA0.88
PAB4-AMINOBENZOIC ACIDA1IUS0.88
PAB4-AMINOBENZOIC ACIDA1IUU0.88
PAB4-AMINOBENZOIC ACIDA1IUT0.88
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.77
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.79
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.77
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.84
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.72
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.72
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3GT40.78
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3T0.78
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3D0.78
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E3S0.78
I3C5-amino-2,4,6-triiodobenzene-1,3-
dicarboxylic acid
A3E790.78
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
MHBA,B1SRG0.81
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.81
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.81
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.81
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.7
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.8
SOAISATOIC ANHYDRIDEA1BIO0.76
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
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.76
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.76
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE
A1RT60.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.77
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.77
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.77
OSB2-SUCCINYLBENZOATEA1FHV0.7
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.7
OSB2-SUCCINYLBENZOATEA,B2QVH0.7
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.79
TY23-AMINO-L-TYROSINEA,B2VH30.76
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.73
GBS4-GUANIDINOBENZOIC ACIDX2AH40.78
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.78
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.78
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.78
HABA,B1SRE0.8
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.73
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.75
IBRA9EST0.78
A842-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP-
1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]-
5,6,7,8-TETRAHYDRONAPHTHALENE-1-
CARBOXYLIC ACID
A1YW90.7
FBCA,B2B9A0.7
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.81
AZY3-AZIDO-L-TYROSINEA2YXN0.75
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.72
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.72
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.8
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.77
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.83
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.83
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.83
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.8
RA21-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-
5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-
2-ONE
A1B9V0.71
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.79
3AB3-aminobenzamideA,B,C,D3GOY0.76
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.95
GAB3-AMINOBENZOIC ACIDA,B3GSB0.95
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.95
GAB3-AMINOBENZOIC ACIDA3FHB0.95
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.76
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.76
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.76
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.81
ICUMETHYL(2-ACETOXY-2-(2-CARBOXY-4-
AMINO-PHENYL))ACETATE
A1JIM0.79
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.74
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.85
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFW0.7
4AA4-CHLORO-3-HYDROXYANTHRANILIC ACIDA1YFX0.7
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.72
26CA,B2F7I0.7
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.74
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.79
6792-CHLORO-5-[4-(3-CHLORO-PHENYL)-
2,5-DIOXO-2,5-DIHYDRO-1H-PYRROL-
3-YLAMINO]-BENZOIC ACID
A,B1Q4L0.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.7
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.79
MBOMERCURIBENZOIC ACIDA2QO80.73
MBOMERCURIBENZOIC ACIDA1LUG0.73
MBOMERCURIBENZOIC ACIDA2HOC0.73
MBOMERCURIBENZOIC ACIDA3EFI0.73
MBOMERCURIBENZOIC ACIDA3BL00.73
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.73
MBOMERCURIBENZOIC ACIDA3CAJ0.73
MBOMERCURIBENZOIC ACIDA1DR70.73
MBOMERCURIBENZOIC ACIDA2HL40.73
MBOMERCURIBENZOIC ACIDA2GD80.73
MBOMERCURIBENZOIC ACIDA2QP60.73
MBOMERCURIBENZOIC ACIDA2HD60.73
MBOMERCURIBENZOIC ACIDA3C7P0.73
MBOMERCURIBENZOIC ACIDA,B2JHN0.73
MBOMERCURIBENZOIC ACIDA1DR60.73
MBOMERCURIBENZOIC ACIDA2HNC0.73
MBOMERCURIBENZOIC ACIDA2QOA0.73
DMBA,B1SRI0.8
IBA4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-
5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID
A1VCJ0.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.85
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.7
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID
H1MEX0.76
4MA4-METHYLBENZOIC ACIDA,H2HRG0.77
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.84
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.79
C9P4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-
2-yl]sulfonyl}amino)benzoic acid
A,B3BM60.71
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
BRV5-amino-2,4,6-tribromobenzene-1,3-
dicarboxylic acid
A3GT30.72