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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03082738

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PI7N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-
OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-
1(16),13(17),14-TRIEN-11-YAMINO)-
2-HYDROXY-1-(4-HYDROXY-BENZYL) -
PROPYL]-3-METHYL-2-PROPIONYLAMINO-
BUTYRAMIDE
A,B1B6P0.7
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.7
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.7
843N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE
A1O420.71
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.75
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
VRV6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-
4-PHENYL-1,2-DIHYDROPYRIDINE-3-
CARBONITRILE
A2OBJ0.74
0E4N-acetyl-L-tyrosyl-L-valyl-L-alanyl-
L-aspartic acid
B,D3GJS0.72
CTACYCLOTHEONAMIDE AA1TYN0.71
IFAA,B3FC80.76
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.76
TI2(2-SULFANYL-3-PHENYLPROPANOYL)-
PHE-TYR
A1QF00.73
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.71
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.75
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.77
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.72
ARYARYLOMYCIN A2A,B1T7D0.72
3XH3-Hydroxyhippuric acidA3E9K0.7
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.77
TNC4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-
3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-
2-CARBOXYLIC ACID AMIDE
A,B1N5Q0.7
TVNN-{(2R)-4-(methylamino)-4-oxo-2-
[4-(phosphonooxy)benzyl]butanoyl}-
L-valyl-L-aspartamide
A3C7I0.71
CMQN~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-
2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-
L-LEUCINAMIDE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2FZS0.74
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.74
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
TYPCYCLO-(L-TYROSINE-L-PROLINE) INHIBITORA,B1W1Y0.73
AEF4-(2-aminoethyl)phenolA3BRA0.71
IYGN-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINEA1OPM0.72
5PH5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-
BENZOIC ACID
A1RWV0.7
AOEN-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-
3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-
DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-
7-YL]-N-METHYLUNDECANAMIDE
A1HJ10.72
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.78
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.72
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.72
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.72
TYCL-TYROSINAMIDEA2BF90.73
TYCL-TYROSINAMIDEA2OCI0.73
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.78
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.74
C1NN-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-
[3-FLUORO-1-(4-HYDROXYBENZYL)-2-
OXOPROPYL]LEUCINAMIDE
A1ZCM0.74
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.71
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
A,B2ZNP0.71
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.73
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE
A2F380.72
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.83
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.76
GAHN-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-
3-CYCLOHEXYL-L-ALANYL)AZETIDIN-
2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-
L-LYSINAMIDE
A,H1XM10.7
SD2N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDEA,B1PWQ0.7
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.73
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine
A,B,C,D2ZEC0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.73