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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00611663

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.74
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
REN(S)-reticulineA3FWA0.7
REN(S)-reticulineA3D2D0.7
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.76
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.81
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.81
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.71
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,D1XQC0.7
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.71
EDREDROPHONIUM IONA1AX90.72
EDREDROPHONIUM IONA2ACK0.72
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
TYPCYCLO-(L-TYROSINE-L-PROLINE) INHIBITORA,B1W1Y0.71
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.71
LDPL-DOPAMINEA,B2A3R0.71
LDPL-DOPAMINEA5PAH0.71
LDPL-DOPAMINEA,B2QMZ0.71
LDPL-DOPAMINEA,B2VQ50.71
ETY4-ethylphenolA,B,C,D2RA60.72
AEF4-(2-aminoethyl)phenolA3BRA0.75
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.74
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.74
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.76
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71