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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00099050

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.73
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.7
ETY4-ethylphenolA,B,C,D2RA60.71
EDREDROPHONIUM IONA1AX90.73
EDREDROPHONIUM IONA2ACK0.73
LDPL-DOPAMINEA,B2A3R0.72
LDPL-DOPAMINEA5PAH0.72
LDPL-DOPAMINEA,B2QMZ0.72
LDPL-DOPAMINEA,B2VQ50.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.83
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.83
AEJ(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-
A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-
1,2,3,4-TETRAHYDROISOQUINOLIN-6-
OL
A,B,C,D1XQC0.72
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.71
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.77
AEF4-(2-aminoethyl)phenolA3BRA0.76
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.71
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.73
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.73
TYCL-TYROSINAMIDEA2BF90.71
TYCL-TYROSINAMIDEA2OCI0.71
REN(S)-reticulineA3FWA0.73
REN(S)-reticulineA3D2D0.73
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.76
TYPCYCLO-(L-TYROSINE-L-PROLINE) INHIBITORA,B1W1Y0.71
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.72
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.72
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.73
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.74
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.75
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.73
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.73
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.75
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.76
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.77
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71