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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00606828

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNC4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-
3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-
2-CARBOXYLIC ACID AMIDE
A,B1N5Q0.73
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.74
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.74
0E4N-acetyl-L-tyrosyl-L-valyl-L-alanyl-
L-aspartic acid
B,D3GJS0.7
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
A1HJ10.79
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.77
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.71
IFAA,B3FC80.71
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
2FZS0.7
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.73
099(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-
N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]butanediamide
A,B3HYG0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
TYPCYCLO-(L-TYROSINE-L-PROLINE) INHIBITORA,B1W1Y0.75
IYGN-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINEA1OPM0.7
ARYARYLOMYCIN A2A,B1T7D0.72
1C5[[O-PHOSPHONO-N-ACETYL-TYROSINYL]-
GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-
AMINE
A1BKM0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.8
EQIEQUILINA,B1EQU0.7
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.74
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.73
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.71
TI2(2-SULFANYL-3-PHENYLPROPANOYL)-
PHE-TYR
A1QF00.72
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,H1XM10.71
EQUEQUILENINA,B1OGX0.7
EQUEQUILENINA,B,C,D,E,F1QJG0.7
EQUEQUILENINA,B1OH00.7
EQUEQUILENINA1W6Y0.7
EQUEQUILENINA,B1CQS0.7
EQUEQUILENINA1OGZ0.7
EQUEQUILENINA1GS30.7
EQUEQUILENINA1OHO0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.7
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.8
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.75
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.74
DAI(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-
3A,4,9,9A-TETRAHYDRO-4,9[1',2']-
BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-
DIONE
A,B,C,D1YLS0.7
DAI(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-
3A,4,9,9A-TETRAHYDRO-4,9[1',2']-
BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-
DIONE
A,B,C,D1YKV0.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.72
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.71
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.75
PTC2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-
PHENYL)-CYCLOPROPANECARBOXYLIC ACID
C,D1IS00.71
TYCL-TYROSINAMIDEA2BF90.72
TYCL-TYROSINAMIDEA2OCI0.72
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.71
DK22-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-
1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID
A,B2PU20.71
C1NN-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-
[3-FLUORO-1-(4-HYDROXYBENZYL)-2-
OXOPROPYL]LEUCINAMIDE
A1ZCM0.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.75