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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03028460

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.74
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.85
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.79
DMBA,B1SRI0.77
AC6P-HYDROXYACETOPHENONEA2GQ80.75
AC6P-HYDROXYACETOPHENONEX2O480.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.75
IFAA,B3FC80.79
ADL(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO-
ANTHRACEN-2-YL)-ACETIC ACID
A,B1N5S0.75
OAL(1,8-DIHYDROXY-9,10-DIOXO-9,10-
DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID
B1N5T0.75
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.71
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.71
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.75
HABA,B1SRE0.75
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.77
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.72
3HB3-HYDROXYBENZOIC ACIDA2DKH0.72
DFL2-(4-HYDROXY-PHENYL)-CHROMAN-4-
ONE
A,B1JEP0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.72
4HP4-HYDROXYPHENYLACETATEA2YYJ0.72
4HP4-HYDROXYPHENYLACETATEA2YYM0.72
4HP4-HYDROXYPHENYLACETATEB1AI60.72
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.72
FBCA,B2B9A0.71
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide
A,B3ESN0.71
3XH3-Hydroxyhippuric acidA3E9K0.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.74
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.83
TYI3,5-DIIODOTYROSINEA2D8W0.7
TYI3,5-DIIODOTYROSINEE,I1CTP0.7
TYI3,5-DIIODOTYROSINEA2D970.7
TYI3,5-DIIODOTYROSINEA2AXE0.7
TYI3,5-DIIODOTYROSINEA2D8O0.7
TYI3,5-DIIODOTYROSINEA,B2VLW0.7
TYI3,5-DIIODOTYROSINEA,B2C3V0.7
TYI3,5-DIIODOTYROSINEA2D980.7
TYI3,5-DIIODOTYROSINEA2NOO0.7
TYI3,5-DIIODOTYROSINEA2D8P0.7
TYI3,5-DIIODOTYROSINEA,B,C,D,E,F,
G,H
3GH80.7
TYI3,5-DIIODOTYROSINEA,B,C,D1L0S0.7
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
A,B2ZNP0.7
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.8
SHASALICYLHYDROXAMIC ACIDX1V0H0.89
SHASALICYLHYDROXAMIC ACIDA2QPK0.89
SHASALICYLHYDROXAMIC ACIDA3FNL0.89
SHASALICYLHYDROXAMIC ACIDA3GCJ0.89
SHASALICYLHYDROXAMIC ACIDA1CK60.89
PHBP-HYDROXYBENZOIC ACIDA1CJ40.71
PHBP-HYDROXYBENZOIC ACIDA1DOB0.71
PHBP-HYDROXYBENZOIC ACIDA1PXB0.71
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.71
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.71
PHBP-HYDROXYBENZOIC ACIDA1IUV0.71
PHBP-HYDROXYBENZOIC ACIDA1PBE0.71
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.71
PHBP-HYDROXYBENZOIC ACIDA1PDH0.71
PHBP-HYDROXYBENZOIC ACIDB2BUW0.71
PHBP-HYDROXYBENZOIC ACIDA1CC40.71
PHBP-HYDROXYBENZOIC ACIDA1CC60.71
PHBP-HYDROXYBENZOIC ACIDA1IUW0.71
PHBP-HYDROXYBENZOIC ACIDA1FW90.71
PHBP-HYDROXYBENZOIC ACIDA1G810.71
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.71
PHBP-HYDROXYBENZOIC ACIDA1IUX0.71
PHBP-HYDROXYBENZOIC ACIDA1CJ30.71
PHBP-HYDROXYBENZOIC ACIDA1D7L0.71
PHBP-HYDROXYBENZOIC ACIDA2PHH0.71
PHBP-HYDROXYBENZOIC ACIDA1BGN0.71
PHBP-HYDROXYBENZOIC ACIDA1PXA0.71
PHBP-HYDROXYBENZOIC ACIDA1DOC0.71
PHBP-HYDROXYBENZOIC ACIDA1K0I0.71
PHBP-HYDROXYBENZOIC ACIDA1BKW0.71
PHBP-HYDROXYBENZOIC ACIDA1JD30.71
PHBP-HYDROXYBENZOIC ACIDA1PXC0.71
PHBP-HYDROXYBENZOIC ACIDA1TT80.71
PHBP-HYDROXYBENZOIC ACIDA1CJ20.71
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.71
PHBP-HYDROXYBENZOIC ACIDA1BF30.71
PHBP-HYDROXYBENZOIC ACIDB2BUR0.71
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.72
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.77
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.72
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.72
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.72
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.87
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.72
26CA,B2F7I0.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
MTBA,B1SRF0.75
PSNBENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4K0.73
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.74
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.74
TYCL-TYROSINAMIDEA2BF90.76
TYCL-TYROSINAMIDEA2OCI0.76
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.75
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.75
3CAA,B2B770.74
IYR3-IODO-TYROSINEA2D980.71
IYR3-IODO-TYROSINEA2D8P0.71
IYR3-IODO-TYROSINEA,B3GFD0.71
IYR3-IODO-TYROSINEA2R1Q0.71
IYR3-IODO-TYROSINEA2ZP10.71
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.71
IYR3-IODO-TYROSINEC1CF00.71
IYR3-IODO-TYROSINEA1XXZ0.71
IYR3-IODO-TYROSINEA2D970.71
IYR3-IODO-TYROSINEA1XY90.71
IYR3-IODO-TYROSINEA2Z100.71
IYR3-IODO-TYROSINEA1WQ30.71
IYR3-IODO-TYROSINEA2D8O0.71
IYR3-IODO-TYROSINEA2D8W0.71
IYR3-IODO-TYROSINEA2Z110.71
2992,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATEA1O4E0.71
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.72
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.72
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.7
219CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATEA1O4I0.72
4FCA1YSG0.72
HBAP-HYDROXYBENZALDEHYDEA1K030.71
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.71
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.71
HBAP-HYDROXYBENZALDEHYDEA2GQ90.71
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.71
HBAP-HYDROXYBENZALDEHYDEA1OYB0.71
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.73
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.76
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.76
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C1L6M0.72
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3CBC0.72
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3BY00.72
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.71
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.8
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.72
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.73
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.73
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.78
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.78
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.77
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.77
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.76
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.76
SAL2-HYDROXYBENZOIC ACIDA2I300.76
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.76
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.76
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.76
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.76
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.76
SAL2-HYDROXYBENZOIC ACIDA1WYG0.76
SAL2-HYDROXYBENZOIC ACIDA1JGS0.76
SAL2-HYDROXYBENZOIC ACIDX1M6E0.76
SAL2-HYDROXYBENZOIC ACIDA3B9M0.76
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.76
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.76
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.76
FHIA,B1Y1D0.78
NABA,B1SRJ0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
MHBA,B1SRG0.75
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.8
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.77
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.77
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.81
MTYMETA-TYROSINEA2TOH0.71
MTYMETA-TYROSINEA,B1BIQ0.71
MTYMETA-TYROSINEA1Q7O0.71
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.73
BVL(2E)-1-[2-hydroxy-4-methoxy-5-(3-
methylbut-2-en-1-yl)phenyl]-3-(4-
hydroxyphenyl)prop-2-en-1-one
A2ZBH0.72
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.7
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.8
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.8
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.7
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.7
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.71
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.74
TYBTYROSINALA,B1KDZ0.73
TYBTYROSINALA1Q110.73
TYBTYROSINALA,B2J5B0.73
TYBTYROSINALA,I1GA40.73
TYBTYROSINALA,B,C1NLU0.73
TYBTYROSINALA,B1KE10.73
TYBTYROSINALA,B1H3F0.73
TYBTYROSINALA,B1H3E0.73
YOF3-FLUOROTYROSINEA,B1XIL0.71
YOF3-FLUOROTYROSINEA,B1XDC0.71
YOF3-FLUOROTYROSINEA1RRX0.71
YOF3-FLUOROTYROSINEA,B3FYG0.71
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.74
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.74
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.8
3MB3-METHOXYBENZAMIDEA3PAX0.75
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.75
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.75
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.75
DTYD-TYROSINEA1C4B0.73
DTYD-TYROSINEA,L1ZEA0.73
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.73
DTYD-TYROSINEA,B1UNO0.73
DTYD-TYROSINEA2IGZ0.73
DTYD-TYROSINEA,B,C,H,K,L2R5D0.73
DTYD-TYROSINEA,B2Q330.73
DTYD-TYROSINEH,S2H9E0.73
DTYD-TYROSINEA,B,C,H,K,L2R5B0.73
DTYD-TYROSINEA2IH00.73
DTYD-TYROSINEA1D7T0.73
DTYD-TYROSINEA,B1XA00.73
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.7
3BE3-bromo-N'-[(1E)-(3,5-dibromo-2,4-
dihydroxyphenyl)methylidene]benzohydrazide
A,B,C,D,E,F3DOZ0.7
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.71
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.77