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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02438625

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.7
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
3XH3-Hydroxyhippuric acidA3E9K0.74
TYPCYCLO-(L-TYROSINE-L-PROLINE) INHIBITORA,B1W1Y0.72
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.7
EYK2-tert-butylbenzene-1,4-diolB3EYK0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.77
REN(S)-reticulineA3FWA0.75
REN(S)-reticulineA3D2D0.75
AEF4-(2-aminoethyl)phenolA3BRA0.71
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.75
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.71
1NP1-NAPHTHOLX2ZVQ0.71
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.76
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.73
LDPL-DOPAMINEA,B2A3R0.71
LDPL-DOPAMINEA5PAH0.71
LDPL-DOPAMINEA,B2QMZ0.71
LDPL-DOPAMINEA,B2VQ50.71
L473-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-
4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL
A,B1YRS0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.84
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.84
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.74
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.71
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.71
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.71
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.71
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
A1HJ10.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
OI13-(4-HYDROXYBENZYL)-2-[1-({[2-(4-
HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]-
4-OXO-3,6,11,11A-TETRAHYDRO-4H-
PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM-
1-OLATE
A,B1Q9D0.72
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.74
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.85
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.72
TYCL-TYROSINAMIDEA2BF90.7
TYCL-TYROSINAMIDEA2OCI0.7