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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02248912

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.77
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
B11N-[3-(4-FLUOROPHENOXY)PHENYL]-4-
[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-
1-SULFONAMIDE
A1ZZ20.72
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.76
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.73
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.72
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.72
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.81
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.81
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.7
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.7
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.72
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.71
DPDA,B1QIW0.71
DPDA1QIV0.71
AEF4-(2-aminoethyl)phenolA3BRA0.76
LDPL-DOPAMINEA,B2A3R0.74
LDPL-DOPAMINEA5PAH0.74
LDPL-DOPAMINEA,B2QMZ0.74
LDPL-DOPAMINEA,B2VQ50.74
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.72
099(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-
N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]butanediamide
A,B3HYG0.7
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.72
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.72
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.72
1NP1-NAPHTHOLX2ZVQ0.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.77
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.77
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)
A,B,C3CMP0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.75
ANFANTHRONEH2BJM0.71
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.75
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.76
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.78
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.72
P124-[AMINO(IMINO)METHYL]-1-[2-(3-
AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-
1-IUM
B1UUI0.7
4422-[3,5-DIBROMO-4-(4-HYDROXY-3-{HYDROXY[(2-
PHENYLETHYL)AMINO]METHYL}PHENOXY)PHENYL]ETHANE-
1,1-DIOL
A1R6G0.73
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE
B1UUD0.71
3XH3-Hydroxyhippuric acidA3E9K0.71
VRV6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-
4-PHENYL-1,2-DIHYDROPYRIDINE-3-
CARBONITRILE
A2OBJ0.71
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.8
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.74
TI2(2-SULFANYL-3-PHENYLPROPANOYL)-
PHE-TYR
A1QF00.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.76
ALEL-EPINEPHRINEA3PAH0.71
ALEL-EPINEPHRINEA2HKK0.71
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.74
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.76