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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01736805

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.74
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.8
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.74
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.7
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.7
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE
A1REJ0.71
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.71
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.71
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.72
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.73
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.77
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE
A1RE80.73
3MB3-METHOXYBENZAMIDEA3PAX0.71
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.76
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C1L6M0.83
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3CBC0.83
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3BY00.83
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.77
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.86
3XH3-Hydroxyhippuric acidA3E9K0.78
VRV6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-
4-PHENYL-1,2-DIHYDROPYRIDINE-3-
CARBONITRILE
A2OBJ0.7
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.71
1615-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID
A,B1NMS0.73
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.75
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.72
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.72
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.72
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.86
IFAA,B3FC80.8
TY33-HYDROXY-L-TYROSINEA,B2VH30.72
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.7
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)
A,B,C3CMP0.81
LDPL-DOPAMINEA,B2A3R0.71
LDPL-DOPAMINEA5PAH0.71
LDPL-DOPAMINEA,B2QMZ0.71
LDPL-DOPAMINEA,B2VQ50.71
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.74
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.74
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.74
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.74
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.74
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.78
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.78
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.71
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.71
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.71
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.71
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.71
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
A,B2ZNP0.71
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.7
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.73
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.72
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.73
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.73
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.7
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.81
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.82
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.73
DK22-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-
1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID
A,B2PU20.71
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.75
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.71
HBZN-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine
A2QN70.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.77
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.73
ARYARYLOMYCIN A2A,B1T7D0.71
TYCL-TYROSINAMIDEA2BF90.7
TYCL-TYROSINAMIDEA2OCI0.7
SHASALICYLHYDROXAMIC ACIDX1V0H0.81
SHASALICYLHYDROXAMIC ACIDA2QPK0.81
SHASALICYLHYDROXAMIC ACIDA3FNL0.81
SHASALICYLHYDROXAMIC ACIDA3GCJ0.81
SHASALICYLHYDROXAMIC ACIDA1CK60.81
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71