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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02284630

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol		A,B3EKR0.87
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID		A1ERQ0.83
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.82
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.82
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE		A,B3FCB0.82
IFAA,B3FC80.81
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)		A,B2CHU0.81
3XH3-Hydroxyhippuric acidA3E9K0.8
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C1L6M0.79
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C3CBC0.79
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C3BY00.79
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE		A,B1X6W0.79
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.79
SHASALICYLHYDROXAMIC ACIDX1V0H0.79
SHASALICYLHYDROXAMIC ACIDA2QPK0.79
SHASALICYLHYDROXAMIC ACIDA3FNL0.79
SHASALICYLHYDROXAMIC ACIDA3GCJ0.79
SHASALICYLHYDROXAMIC ACIDA1CK60.79
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.78
1615-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID		A,B1NMS0.77
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE		A1REJ0.77
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid		A,B2ZNQ0.76
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE		A,B2UXI0.76
BA1BALANOLA1BX60.76
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.76
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)		A,B,C3CMP0.76
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.76
HBZN-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine		A2QN70.76
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE		A1RE80.75
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.75
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.75
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE		A2EW60.75
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE		A2V130.75
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione		A3G5H0.75
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.74
FLQN-[6-(ACETYLAMINO)HEXYL]-3',6'-
DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN-
1,9'-XANTHENE]-6-CARBOXAMIDE		C2FDC0.74
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid		A,B2ZNP0.74
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.74
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE		C,O2V120.74
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.74
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.74
DK22-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-
1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID		A,B2PU20.73
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.73
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.73
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.73
5PH5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-
BENZOIC ACID		A1RWV0.73
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.73
ARYARYLOMYCIN A2A,B1T7D0.73
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.73
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.73
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.73
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.72
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.72
099(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-
N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]butanediamide		A,B3HYG0.72
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.72
687N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-
O-PHOSPHONOTYROSINAMIDE		A1O450.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.72
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H		2G0B0.72
3BE3-bromo-N'-[(1E)-(3,5-dibromo-2,4-
dihydroxyphenyl)methylidene]benzohydrazide		A,B,C,D,E,F3DOZ0.72
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.72
4292-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-
3-HYDROXY-PHENYL)-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER		A1QXK0.72
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLM0.72
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLF0.72
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLE0.72
PYU2-(1H-pyrrol-1-ylcarbonyl)benzene-
1,3,5-triol		A,B3EKO0.72
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid		A,B2QVE0.71
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.71
9412-(4-{2-TERT-BUTOXYCARBONYLAMINO-
2-[4-(3-HYDROXY-2-METHOXYCARBONYL-
PHENOXY)-BUTYLCARBAMOYL]-ETHYL}-
PHENOXY)-MALONIC ACID		A1PYN0.71
4BE4-bromo-N'-[(1E)-(3,5-dibromo-2,4-
dihydroxyphenyl)methylidene]benzohydrazide		A,B,C,D,E,F3DP20.71
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE		C1A8G0.71
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.71
TYCL-TYROSINAMIDEA2BF90.71
TYCL-TYROSINAMIDEA2OCI0.71
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
TYPCYCLO-(L-TYROSINE-L-PROLINE) INHIBITORA,B1W1Y0.7
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.7
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.7
SAL2-HYDROXYBENZOIC ACIDA2I300.7
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.7
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.7
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.7
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.7
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.7
SAL2-HYDROXYBENZOIC ACIDA1WYG0.7
SAL2-HYDROXYBENZOIC ACIDA1JGS0.7
SAL2-HYDROXYBENZOIC ACIDX1M6E0.7
SAL2-HYDROXYBENZOIC ACIDA3B9M0.7
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.7
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.7
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.7
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE		A,B2IEH0.7