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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02241686

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.7
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.73
T333,3'-DEIODO-THYROXINEA,B1THA0.71
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.7
TYSO-SULFO-L-TYROSINEH,I1O2G0.7
TYSO-SULFO-L-TYROSINEI,J1AY60.7
TYSO-SULFO-L-TYROSINEB,I1QHR0.7
TYSO-SULFO-L-TYROSINEB,C1TWX0.7
TYSO-SULFO-L-TYROSINEB,D2K030.7
TYSO-SULFO-L-TYROSINEH,I1YPK0.7
TYSO-SULFO-L-TYROSINEH,I1SB10.7
TYSO-SULFO-L-TYROSINEA,B1ZGV0.7
TYSO-SULFO-L-TYROSINEB,I2C8Y0.7
TYSO-SULFO-L-TYROSINEH,I2ZGB0.7
TYSO-SULFO-L-TYROSINEH,I2ZC90.7
TYSO-SULFO-L-TYROSINED,H2JH60.7
TYSO-SULFO-L-TYROSINEH,I2ZDV0.7
TYSO-SULFO-L-TYROSINEI1VR10.7
TYSO-SULFO-L-TYROSINEA,B,I1DOJ0.7
TYSO-SULFO-L-TYROSINEH,I2BVR0.7
TYSO-SULFO-L-TYROSINEH,I,L1GHY0.7
TYSO-SULFO-L-TYROSINEH,I1T4V0.7
TYSO-SULFO-L-TYROSINEH,I1TOM0.7
TYSO-SULFO-L-TYROSINEH,I1YPE0.7
TYSO-SULFO-L-TYROSINEB,I1WAY0.7
TYSO-SULFO-L-TYROSINE2,31C4Y0.7
TYSO-SULFO-L-TYROSINEH,I2ZHF0.7
TYSO-SULFO-L-TYROSINEB,I2C8Z0.7
TYSO-SULFO-L-TYROSINEH,I1A5G0.7
TYSO-SULFO-L-TYROSINEH,I1YPL0.7
TYSO-SULFO-L-TYROSINEA,B,C,D,E,F,H2QAD0.7
TYSO-SULFO-L-TYROSINEH,I,R1B5G0.7
TYSO-SULFO-L-TYROSINEB,C1MU80.7
TYSO-SULFO-L-TYROSINEA,B1GWB0.7
TYSO-SULFO-L-TYROSINEB,I2C900.7
TYSO-SULFO-L-TYROSINEB,I1WBG0.7
TYSO-SULFO-L-TYROSINEB,I2C930.7
TYSO-SULFO-L-TYROSINEB,C1G300.7
TYSO-SULFO-L-TYROSINEB,H2UUK0.7
TYSO-SULFO-L-TYROSINEH,I3EGK0.7
TYSO-SULFO-L-TYROSINEH,I1C5N0.7
TYSO-SULFO-L-TYROSINEH,I1A610.7
TYSO-SULFO-L-TYROSINEH,I1C5L0.7
TYSO-SULFO-L-TYROSINEA,H1XM10.7
TYSO-SULFO-L-TYROSINEH,I1A2C0.7
TYSO-SULFO-L-TYROSINEH,I2BVX0.7
TYSO-SULFO-L-TYROSINEH,I2ZFF0.7
TYSO-SULFO-L-TYROSINEH,I3BIU0.7
TYSO-SULFO-L-TYROSINEB,H1D3P0.7
TYSO-SULFO-L-TYROSINEB,H1D3Q0.7
TYSO-SULFO-L-TYROSINEH,I2ZFP0.7
TYSO-SULFO-L-TYROSINEB,C,D1BA80.7
TYSO-SULFO-L-TYROSINEA,I1D6W0.7
TYSO-SULFO-L-TYROSINEH,I2ZF00.7
TYSO-SULFO-L-TYROSINEH,I2ZGX0.7
TYSO-SULFO-L-TYROSINEB,G1OOK0.7
TYSO-SULFO-L-TYROSINEH,I1AE80.7
TYSO-SULFO-L-TYROSINEH,I2ZFR0.7
TYSO-SULFO-L-TYROSINEA,H1NT10.7
TYSO-SULFO-L-TYROSINEH,I2ZFQ0.7
TYSO-SULFO-L-TYROSINEE,I1HAG0.7
TYSO-SULFO-L-TYROSINEB,I2C8X0.7
TYSO-SULFO-L-TYROSINEH,I2BXT0.7
TYSO-SULFO-L-TYROSINED,H2GDE0.7
TYSO-SULFO-L-TYROSINEH,I,R1TBZ0.7
TYSO-SULFO-L-TYROSINEH,I1BCU0.7
TYSO-SULFO-L-TYROSINEB,C1KTS0.7
TYSO-SULFO-L-TYROSINEH,I2BXU0.7
TYSO-SULFO-L-TYROSINEB,I1QJ70.7
TYSO-SULFO-L-TYROSINEH,I1K220.7
TYSO-SULFO-L-TYROSINEI,T1TMB0.7
TYSO-SULFO-L-TYROSINEH,I1AHT0.7
TYSO-SULFO-L-TYROSINEI1HGT0.7
TYSO-SULFO-L-TYROSINEB,I1QJ10.7
TYSO-SULFO-L-TYROSINEA,B1TA60.7
TYSO-SULFO-L-TYROSINEH,I1AFE0.7
TYSO-SULFO-L-TYROSINEH,I1AIX0.7
TYSO-SULFO-L-TYROSINEH,I2ZG00.7
TYSO-SULFO-L-TYROSINEC,D2PKS0.7
TYSO-SULFO-L-TYROSINEB,C1MUE0.7
TYSO-SULFO-L-TYROSINED,H2JH50.7
TYSO-SULFO-L-TYROSINEB,D2K050.7
TYSO-SULFO-L-TYROSINEB,C1MU60.7
TYSO-SULFO-L-TYROSINEA,B,C,D1G1S0.7
TYSO-SULFO-L-TYROSINEH,I1HAH0.7
TYSO-SULFO-L-TYROSINEH,I2ZI20.7
TYSO-SULFO-L-TYROSINEH,I3BIV0.7
TYSO-SULFO-L-TYROSINE2,31C4U0.7
TYSO-SULFO-L-TYROSINEA,B1NM60.7
TYSO-SULFO-L-TYROSINEA,B3C1K0.7
TYSO-SULFO-L-TYROSINEA,I1D9I0.7
TYSO-SULFO-L-TYROSINEH,I1YPG0.7
TYSO-SULFO-L-TYROSINEB,H1D4P0.7
TYSO-SULFO-L-TYROSINEH,I,J1TMU0.7
TYSO-SULFO-L-TYROSINEH,I1YPM0.7
TYSO-SULFO-L-TYROSINEB,C1BB00.7
TYSO-SULFO-L-TYROSINEA,C1P8V0.7
TYSO-SULFO-L-TYROSINEB,H2UUF0.7
TYSO-SULFO-L-TYROSINEB,C1G320.7
TYSO-SULFO-L-TYROSINEH,I1YPJ0.7
TYSO-SULFO-L-TYROSINEB,I2C8W0.7
TYSO-SULFO-L-TYROSINEI,K1H8D0.7
TYSO-SULFO-L-TYROSINEH,I1GJ40.7
TYSO-SULFO-L-TYROSINEH,I1O5G0.7
TYSO-SULFO-L-TYROSINEA2RLL0.7
TYSO-SULFO-L-TYROSINEH,I1AD80.7
TYSO-SULFO-L-TYROSINEH,I1C1U0.7
TYSO-SULFO-L-TYROSINEH,I,L1GHX0.7
TYSO-SULFO-L-TYROSINEA,B1ZRB0.7
TYSO-SULFO-L-TYROSINEA,B2BDY0.7
TYSO-SULFO-L-TYROSINEH,I2ZHE0.7
TYSO-SULFO-L-TYROSINED,H2JH00.7
TYSO-SULFO-L-TYROSINEA,B1TA20.7
TYSO-SULFO-L-TYROSINEB,H2UUJ0.7
TYSO-SULFO-L-TYROSINEA,H1JMO0.7
TYSO-SULFO-L-TYROSINEA,B1SL30.7
TYSO-SULFO-L-TYROSINEH,I2ZHQ0.7
TYSO-SULFO-L-TYROSINEH,I2ZO30.7
TYSO-SULFO-L-TYROSINE2,3,48KME0.7
TYSO-SULFO-L-TYROSINEH,I,L1C1W0.7
TYSO-SULFO-L-TYROSINEB,I1QJ60.7
TYSO-SULFO-L-TYROSINEA,B1Z710.7
TYSO-SULFO-L-TYROSINEA,B1ZGI0.7
TYSO-SULFO-L-TYROSINEH,I1C5O0.7
TYSO-SULFO-L-TYROSINEI,T3HAT0.7
TYSO-SULFO-L-TYROSINEH,I3DUX0.7
TYSO-SULFO-L-TYROSINEH,I1C1V0.7
TYSO-SULFO-L-TYROSINEH,I2ZNK0.7
TYSO-SULFO-L-TYROSINEH,I3D490.7
TYSO-SULFO-L-TYROSINEH,I1GJ50.7
TYSO-SULFO-L-TYROSINEH,I1UMA0.7
TYSO-SULFO-L-TYROSINEH,I3DT00.7
TYSO-SULFO-L-TYROSINEE,H1QBV0.7
TYSO-SULFO-L-TYROSINEI,K1H8I0.7
TYSO-SULFO-L-TYROSINEA,C,D1RZG0.7
TYSO-SULFO-L-TYROSINEH,I1AI80.7
TYSO-SULFO-L-TYROSINEH,I,J7KME0.7
TYSO-SULFO-L-TYROSINEH,I,L2PW80.7
TYSO-SULFO-L-TYROSINEH,I1A4W0.7
TYSO-SULFO-L-TYROSINEH,I1GHV0.7
TYSO-SULFO-L-TYROSINEH,I1NO90.7
TYSO-SULFO-L-TYROSINEH,I1AWF0.7
TYSO-SULFO-L-TYROSINEH,I1K210.7
TYSO-SULFO-L-TYROSINEH,I1T4U0.7
TYSO-SULFO-L-TYROSINEB,H1D3D0.7
TYSO-SULFO-L-TYROSINEB,H1D3T0.7
TYSO-SULFO-L-TYROSINEH,I1A460.7
TYSO-SULFO-L-TYROSINEH,I2ZDA0.7
TYSO-SULFO-L-TYROSINEH,I2ZHW0.7
TYSO-SULFO-L-TYROSINEB2K3U0.7
TYSO-SULFO-L-TYROSINEH,I3DHK0.7
TYSO-SULFO-L-TYROSINEB,C1KTT0.7
TYSO-SULFO-L-TYROSINEH,I2BVS0.7
TYSO-SULFO-L-TYROSINE31NY20.7
TYSO-SULFO-L-TYROSINEB,C1CA80.7
TYSO-SULFO-L-TYROSINEH,I1GHW0.7
TYSO-SULFO-L-TYROSINE2,31C4V0.7
TYSO-SULFO-L-TYROSINEH,I2ZIQ0.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.75
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.72
YOF3-FLUOROTYROSINEA,B1XIL0.73
YOF3-FLUOROTYROSINEA,B1XDC0.73
YOF3-FLUOROTYROSINEA1RRX0.73
YOF3-FLUOROTYROSINEA,B3FYG0.73
LDPL-DOPAMINEA,B2A3R0.73
LDPL-DOPAMINEA5PAH0.73
LDPL-DOPAMINEA,B2QMZ0.73
LDPL-DOPAMINEA,B2VQ50.73
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.73
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.81
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.77
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.76
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide
A2JT60.72
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.77
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.72
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.72
DTYD-TYROSINEA1C4B0.72
DTYD-TYROSINEA,L1ZEA0.72
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.72
DTYD-TYROSINEA,B1UNO0.72
DTYD-TYROSINEA2IGZ0.72
DTYD-TYROSINEA,B,C,H,K,L2R5D0.72
DTYD-TYROSINEA,B2Q330.72
DTYD-TYROSINEH,S2H9E0.72
DTYD-TYROSINEA,B,C,H,K,L2R5B0.72
DTYD-TYROSINEA2IH00.72
DTYD-TYROSINEA1D7T0.72
DTYD-TYROSINEA,B1XA00.72
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.85
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.72
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.77
TYCL-TYROSINAMIDEA2BF90.73
TYCL-TYROSINAMIDEA2OCI0.73
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.7
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.79
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.8
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.8
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
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.91
HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-
(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-
N-METHYLAMIDE
A1FBL0.73
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.8
AEF4-(2-aminoethyl)phenolA3BRA0.77
TYBTYROSINALA,B1KDZ0.73
TYBTYROSINALA1Q110.73
TYBTYROSINALA,B2J5B0.73
TYBTYROSINALA,I1GA40.73
TYBTYROSINALA,B,C1NLU0.73
TYBTYROSINALA,B1KE10.73
TYBTYROSINALA,B1H3F0.73
TYBTYROSINALA,B1H3E0.73
2NIN-{2-[(4'-CYANO-1,1'-BIPHENYL-4-
YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA
A1ZP50.71
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.78
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
FLTFLUOROMALONYL TYROSINEI1BZH0.73
IYR3-IODO-TYROSINEA2D980.7
IYR3-IODO-TYROSINEA2D8P0.7
IYR3-IODO-TYROSINEA,B3GFD0.7
IYR3-IODO-TYROSINEA2R1Q0.7
IYR3-IODO-TYROSINEA2ZP10.7
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.7
IYR3-IODO-TYROSINEC1CF00.7
IYR3-IODO-TYROSINEA1XXZ0.7
IYR3-IODO-TYROSINEA2D970.7
IYR3-IODO-TYROSINEA1XY90.7
IYR3-IODO-TYROSINEA2Z100.7
IYR3-IODO-TYROSINEA1WQ30.7
IYR3-IODO-TYROSINEA2D8O0.7
IYR3-IODO-TYROSINEA2D8W0.7
IYR3-IODO-TYROSINEA2Z110.7
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.75