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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03049686

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
099(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-
N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]butanediamide
A,B3HYG0.74
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.75
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.72
PTI2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-
ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-6-OL
A1UOM0.72
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.72
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.71
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.7
ALEL-EPINEPHRINEA3PAH0.73
ALEL-EPINEPHRINEA2HKK0.73
098(3R)-N~2~-(cyclopropylmethyl)-N~1~-
hydroxy-3-(3-hydroxybenzyl)-N~4~-
[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]-L-aspartamide
A,B3HY90.7
CRVN-[1-(AMINOMETHYL)CYCLOPROPYL]-
3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-
TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-
L-ALANINAMIDE
A,B2FRA0.7
LDPL-DOPAMINEA,B2A3R0.73
LDPL-DOPAMINEA5PAH0.73
LDPL-DOPAMINEA,B2QMZ0.73
LDPL-DOPAMINEA,B2VQ50.73
ARYARYLOMYCIN A2A,B1T7D0.72
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.74
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,D1XQC0.78
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.7
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.7
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.79
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.79
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.79
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.75
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,B1Q9D0.74
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.71
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.81
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.71
DPDA,B1QIW0.74
DPDA1QIV0.74
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.78
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.72
AEF4-(2-aminoethyl)phenolA3BRA0.73
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.7
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.71
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.71
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.75
REN(S)-reticulineA3FWA0.82
REN(S)-reticulineA3D2D0.82
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.84
MTYMETA-TYROSINEA2TOH0.71
MTYMETA-TYROSINEA,B1BIQ0.71
MTYMETA-TYROSINEA1Q7O0.71
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.71
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.76
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.73
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.77