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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02314063

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
OHT4-HYDROXYTAMOXIFENA3ERT0.7
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.7
OHT4-HYDROXYTAMOXIFENA,B1VJB0.7
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.7
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.7
OHT4-HYDROXYTAMOXIFENA2GPU0.7
OHT4-HYDROXYTAMOXIFENA2P7Z0.7
OHT4-HYDROXYTAMOXIFENA,B2BJ40.7
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.7
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.78
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.8
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.8
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.84
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.73
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.73
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.77
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
ETY4-ethylphenolA,B,C,D2RA60.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.73
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.73
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.73
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.74
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.8
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.73
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.76
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.75
DTYD-TYROSINEA1C4B0.71
DTYD-TYROSINEA,L1ZEA0.71
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.71
DTYD-TYROSINEA,B1UNO0.71
DTYD-TYROSINEA2IGZ0.71
DTYD-TYROSINEA,B,C,H,K,L2R5D0.71
DTYD-TYROSINEA,B2Q330.71
DTYD-TYROSINEH,S2H9E0.71
DTYD-TYROSINEA,B,C,H,K,L2R5B0.71
DTYD-TYROSINEA2IH00.71
DTYD-TYROSINEA1D7T0.71
DTYD-TYROSINEA,B1XA00.71
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.77
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.77
TYBTYROSINALA,B1KDZ0.71
TYBTYROSINALA1Q110.71
TYBTYROSINALA,B2J5B0.71
TYBTYROSINALA,I1GA40.71
TYBTYROSINALA,B,C1NLU0.71
TYBTYROSINALA,B1KE10.71
TYBTYROSINALA,B1H3F0.71
TYBTYROSINALA,B1H3E0.71
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.72
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.71
AEF4-(2-aminoethyl)phenolA3BRA0.79
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.73
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.81
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.77
ALEL-EPINEPHRINEA3PAH0.72
ALEL-EPINEPHRINEA2HKK0.72
2LP2-ALLYLPHENOLA1OV50.71
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.73
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.7
LDPL-DOPAMINEA,B2A3R0.74
LDPL-DOPAMINEA5PAH0.74
LDPL-DOPAMINEA,B2QMZ0.74
LDPL-DOPAMINEA,B2VQ50.74
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.72
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.7
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.74
ARYARYLOMYCIN A2A,B1T7D0.7
TYCL-TYROSINAMIDEA2BF90.71
TYCL-TYROSINAMIDEA2OCI0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.75
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.72
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.75
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.76
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.76
DESDIETHYLSTILBESTROLA,B3ERD0.76
DESDIETHYLSTILBESTROLA,B1TT60.76
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.76
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.73
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.73
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.72
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.7
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.71
2AC2-AMINO-P-CRESOLH,I1A2C0.7
2AC2-AMINO-P-CRESOLA1L4M0.7
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.84
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.75
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.7
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.7
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.74
IFAA,B3FC80.73
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.71