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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02774220

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.79
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.8
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.8
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.74
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.74
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
AEF4-(2-aminoethyl)phenolA3BRA0.8
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.74
ALEL-EPINEPHRINEA3PAH0.73
ALEL-EPINEPHRINEA2HKK0.73
CRVN-[1-(AMINOMETHYL)CYCLOPROPYL]-
3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-
TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-
L-ALANINAMIDE
A,B2FRA0.74
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.71
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.74
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.74
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.81
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.77
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
LDPL-DOPAMINEA,B2A3R0.75
LDPL-DOPAMINEA5PAH0.75
LDPL-DOPAMINEA,B2QMZ0.75
LDPL-DOPAMINEA,B2VQ50.75
TI2(2-SULFANYL-3-PHENYLPROPANOYL)-
PHE-TYR
A1QF00.7
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
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.75
LNRL-NOREPINEPHRINEA,B2QEO0.71
LNRL-NOREPINEPHRINEA3DYE0.71
LNRL-NOREPINEPHRINEA4PAH0.71
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE
A,B1Q0B0.71
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE
A,B1X880.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.72
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.72
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.72
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.74
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.74
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.78
IYR3-IODO-TYROSINEA2D980.71
IYR3-IODO-TYROSINEA2D8P0.71
IYR3-IODO-TYROSINEA,B3GFD0.71
IYR3-IODO-TYROSINEA2R1Q0.71
IYR3-IODO-TYROSINEA2ZP10.71
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.71
IYR3-IODO-TYROSINEC1CF00.71
IYR3-IODO-TYROSINEA1XXZ0.71
IYR3-IODO-TYROSINEA2D970.71
IYR3-IODO-TYROSINEA1XY90.71
IYR3-IODO-TYROSINEA2Z100.71
IYR3-IODO-TYROSINEA1WQ30.71
IYR3-IODO-TYROSINEA2D8O0.71
IYR3-IODO-TYROSINEA2D8W0.71
IYR3-IODO-TYROSINEA2Z110.71
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.72
TYPCYCLO-(L-TYROSINE-L-PROLINE) INHIBITORA,B1W1Y0.71
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.7
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.81
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.77
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.73
TYCL-TYROSINAMIDEA2BF90.73
TYCL-TYROSINAMIDEA2OCI0.73
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.71
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.71
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.73
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.74
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.74
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.74
MTYMETA-TYROSINEA2TOH0.71
MTYMETA-TYROSINEA,B1BIQ0.71
MTYMETA-TYROSINEA1Q7O0.71
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.7
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.71
TYBTYROSINALA,B1KDZ0.73
TYBTYROSINALA1Q110.73
TYBTYROSINALA,B2J5B0.73
TYBTYROSINALA,I1GA40.73
TYBTYROSINALA,B,C1NLU0.73
TYBTYROSINALA,B1KE10.73
TYBTYROSINALA,B1H3F0.73
TYBTYROSINALA,B1H3E0.73
YOF3-FLUOROTYROSINEA,B1XIL0.71
YOF3-FLUOROTYROSINEA,B1XDC0.71
YOF3-FLUOROTYROSINEA1RRX0.71
YOF3-FLUOROTYROSINEA,B3FYG0.71
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.74
DTYD-TYROSINEA1C4B0.73
DTYD-TYROSINEA,L1ZEA0.73
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.73
DTYD-TYROSINEA,B1UNO0.73
DTYD-TYROSINEA2IGZ0.73
DTYD-TYROSINEA,B,C,H,K,L2R5D0.73
DTYD-TYROSINEA,B2Q330.73
DTYD-TYROSINEH,S2H9E0.73
DTYD-TYROSINEA,B,C,H,K,L2R5B0.73
DTYD-TYROSINEA2IH00.73
DTYD-TYROSINEA1D7T0.73
DTYD-TYROSINEA,B1XA00.73