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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02512536

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL20.8
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL10.8
G24[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-
DIMETHYLPHENOXY]ACETIC ACID
A1Q4X0.73
T443,5,3',5'-TETRAIODO-L-THYRONINEX1Y0X0.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK10.74
T443,5,3',5'-TETRAIODO-L-THYRONINEC,D1ICT0.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA2RIW0.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2ROX0.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1IE40.74
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETB0.74
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETA0.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B,C1SN00.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2CEO0.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1F860.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK40.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK20.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK50.74
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK30.74
AIJ(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-
{[(2S)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL
A1XP90.71
TYSO-SULFO-L-TYROSINEH,I1O2G0.72
TYSO-SULFO-L-TYROSINEI,J1AY60.72
TYSO-SULFO-L-TYROSINEB,I1QHR0.72
TYSO-SULFO-L-TYROSINEB,C1TWX0.72
TYSO-SULFO-L-TYROSINEB,D2K030.72
TYSO-SULFO-L-TYROSINEH,I1YPK0.72
TYSO-SULFO-L-TYROSINEH,I1SB10.72
TYSO-SULFO-L-TYROSINEA,B1ZGV0.72
TYSO-SULFO-L-TYROSINEB,I2C8Y0.72
TYSO-SULFO-L-TYROSINEH,I2ZGB0.72
TYSO-SULFO-L-TYROSINEH,I2ZC90.72
TYSO-SULFO-L-TYROSINED,H2JH60.72
TYSO-SULFO-L-TYROSINEH,I2ZDV0.72
TYSO-SULFO-L-TYROSINEI1VR10.72
TYSO-SULFO-L-TYROSINEA,B,I1DOJ0.72
TYSO-SULFO-L-TYROSINEH,I2BVR0.72
TYSO-SULFO-L-TYROSINEH,I,L1GHY0.72
TYSO-SULFO-L-TYROSINEH,I1T4V0.72
TYSO-SULFO-L-TYROSINEH,I1TOM0.72
TYSO-SULFO-L-TYROSINEH,I1YPE0.72
TYSO-SULFO-L-TYROSINEB,I1WAY0.72
TYSO-SULFO-L-TYROSINE2,31C4Y0.72
TYSO-SULFO-L-TYROSINEH,I2ZHF0.72
TYSO-SULFO-L-TYROSINEB,I2C8Z0.72
TYSO-SULFO-L-TYROSINEH,I1A5G0.72
TYSO-SULFO-L-TYROSINEH,I1YPL0.72
TYSO-SULFO-L-TYROSINEA,B,C,D,E,F,H2QAD0.72
TYSO-SULFO-L-TYROSINEH,I,R1B5G0.72
TYSO-SULFO-L-TYROSINEB,C1MU80.72
TYSO-SULFO-L-TYROSINEA,B1GWB0.72
TYSO-SULFO-L-TYROSINEB,I2C900.72
TYSO-SULFO-L-TYROSINEB,I1WBG0.72
TYSO-SULFO-L-TYROSINEB,I2C930.72
TYSO-SULFO-L-TYROSINEB,C1G300.72
TYSO-SULFO-L-TYROSINEB,H2UUK0.72
TYSO-SULFO-L-TYROSINEH,I3EGK0.72
TYSO-SULFO-L-TYROSINEH,I1C5N0.72
TYSO-SULFO-L-TYROSINEH,I1A610.72
TYSO-SULFO-L-TYROSINEH,I1C5L0.72
TYSO-SULFO-L-TYROSINEA,H1XM10.72
TYSO-SULFO-L-TYROSINEH,I1A2C0.72
TYSO-SULFO-L-TYROSINEH,I2BVX0.72
TYSO-SULFO-L-TYROSINEH,I2ZFF0.72
TYSO-SULFO-L-TYROSINEH,I3BIU0.72
TYSO-SULFO-L-TYROSINEB,H1D3P0.72
TYSO-SULFO-L-TYROSINEB,H1D3Q0.72
TYSO-SULFO-L-TYROSINEH,I2ZFP0.72
TYSO-SULFO-L-TYROSINEB,C,D1BA80.72
TYSO-SULFO-L-TYROSINEA,I1D6W0.72
TYSO-SULFO-L-TYROSINEH,I2ZF00.72
TYSO-SULFO-L-TYROSINEH,I2ZGX0.72
TYSO-SULFO-L-TYROSINEB,G1OOK0.72
TYSO-SULFO-L-TYROSINEH,I1AE80.72
TYSO-SULFO-L-TYROSINEH,I2ZFR0.72
TYSO-SULFO-L-TYROSINEA,H1NT10.72
TYSO-SULFO-L-TYROSINEH,I2ZFQ0.72
TYSO-SULFO-L-TYROSINEE,I1HAG0.72
TYSO-SULFO-L-TYROSINEB,I2C8X0.72
TYSO-SULFO-L-TYROSINEH,I2BXT0.72
TYSO-SULFO-L-TYROSINED,H2GDE0.72
TYSO-SULFO-L-TYROSINEH,I,R1TBZ0.72
TYSO-SULFO-L-TYROSINEH,I1BCU0.72
TYSO-SULFO-L-TYROSINEB,C1KTS0.72
TYSO-SULFO-L-TYROSINEH,I2BXU0.72
TYSO-SULFO-L-TYROSINEB,I1QJ70.72
TYSO-SULFO-L-TYROSINEH,I1K220.72
TYSO-SULFO-L-TYROSINEI,T1TMB0.72
TYSO-SULFO-L-TYROSINEH,I1AHT0.72
TYSO-SULFO-L-TYROSINEI1HGT0.72
TYSO-SULFO-L-TYROSINEB,I1QJ10.72
TYSO-SULFO-L-TYROSINEA,B1TA60.72
TYSO-SULFO-L-TYROSINEH,I1AFE0.72
TYSO-SULFO-L-TYROSINEH,I1AIX0.72
TYSO-SULFO-L-TYROSINEH,I2ZG00.72
TYSO-SULFO-L-TYROSINEC,D2PKS0.72
TYSO-SULFO-L-TYROSINEB,C1MUE0.72
TYSO-SULFO-L-TYROSINED,H2JH50.72
TYSO-SULFO-L-TYROSINEB,D2K050.72
TYSO-SULFO-L-TYROSINEB,C1MU60.72
TYSO-SULFO-L-TYROSINEA,B,C,D1G1S0.72
TYSO-SULFO-L-TYROSINEH,I1HAH0.72
TYSO-SULFO-L-TYROSINEH,I2ZI20.72
TYSO-SULFO-L-TYROSINEH,I3BIV0.72
TYSO-SULFO-L-TYROSINE2,31C4U0.72
TYSO-SULFO-L-TYROSINEA,B1NM60.72
TYSO-SULFO-L-TYROSINEA,B3C1K0.72
TYSO-SULFO-L-TYROSINEA,I1D9I0.72
TYSO-SULFO-L-TYROSINEH,I1YPG0.72
TYSO-SULFO-L-TYROSINEB,H1D4P0.72
TYSO-SULFO-L-TYROSINEH,I,J1TMU0.72
TYSO-SULFO-L-TYROSINEH,I1YPM0.72
TYSO-SULFO-L-TYROSINEB,C1BB00.72
TYSO-SULFO-L-TYROSINEA,C1P8V0.72
TYSO-SULFO-L-TYROSINEB,H2UUF0.72
TYSO-SULFO-L-TYROSINEB,C1G320.72
TYSO-SULFO-L-TYROSINEH,I1YPJ0.72
TYSO-SULFO-L-TYROSINEB,I2C8W0.72
TYSO-SULFO-L-TYROSINEI,K1H8D0.72
TYSO-SULFO-L-TYROSINEH,I1GJ40.72
TYSO-SULFO-L-TYROSINEH,I1O5G0.72
TYSO-SULFO-L-TYROSINEA2RLL0.72
TYSO-SULFO-L-TYROSINEH,I1AD80.72
TYSO-SULFO-L-TYROSINEH,I1C1U0.72
TYSO-SULFO-L-TYROSINEH,I,L1GHX0.72
TYSO-SULFO-L-TYROSINEA,B1ZRB0.72
TYSO-SULFO-L-TYROSINEA,B2BDY0.72
TYSO-SULFO-L-TYROSINEH,I2ZHE0.72
TYSO-SULFO-L-TYROSINED,H2JH00.72
TYSO-SULFO-L-TYROSINEA,B1TA20.72
TYSO-SULFO-L-TYROSINEB,H2UUJ0.72
TYSO-SULFO-L-TYROSINEA,H1JMO0.72
TYSO-SULFO-L-TYROSINEA,B1SL30.72
TYSO-SULFO-L-TYROSINEH,I2ZHQ0.72
TYSO-SULFO-L-TYROSINEH,I2ZO30.72
TYSO-SULFO-L-TYROSINE2,3,48KME0.72
TYSO-SULFO-L-TYROSINEH,I,L1C1W0.72
TYSO-SULFO-L-TYROSINEB,I1QJ60.72
TYSO-SULFO-L-TYROSINEA,B1Z710.72
TYSO-SULFO-L-TYROSINEA,B1ZGI0.72
TYSO-SULFO-L-TYROSINEH,I1C5O0.72
TYSO-SULFO-L-TYROSINEI,T3HAT0.72
TYSO-SULFO-L-TYROSINEH,I3DUX0.72
TYSO-SULFO-L-TYROSINEH,I1C1V0.72
TYSO-SULFO-L-TYROSINEH,I2ZNK0.72
TYSO-SULFO-L-TYROSINEH,I3D490.72
TYSO-SULFO-L-TYROSINEH,I1GJ50.72
TYSO-SULFO-L-TYROSINEH,I1UMA0.72
TYSO-SULFO-L-TYROSINEH,I3DT00.72
TYSO-SULFO-L-TYROSINEE,H1QBV0.72
TYSO-SULFO-L-TYROSINEI,K1H8I0.72
TYSO-SULFO-L-TYROSINEA,C,D1RZG0.72
TYSO-SULFO-L-TYROSINEH,I1AI80.72
TYSO-SULFO-L-TYROSINEH,I,J7KME0.72
TYSO-SULFO-L-TYROSINEH,I,L2PW80.72
TYSO-SULFO-L-TYROSINEH,I1A4W0.72
TYSO-SULFO-L-TYROSINEH,I1GHV0.72
TYSO-SULFO-L-TYROSINEH,I1NO90.72
TYSO-SULFO-L-TYROSINEH,I1AWF0.72
TYSO-SULFO-L-TYROSINEH,I1K210.72
TYSO-SULFO-L-TYROSINEH,I1T4U0.72
TYSO-SULFO-L-TYROSINEB,H1D3D0.72
TYSO-SULFO-L-TYROSINEB,H1D3T0.72
TYSO-SULFO-L-TYROSINEH,I1A460.72
TYSO-SULFO-L-TYROSINEH,I2ZDA0.72
TYSO-SULFO-L-TYROSINEH,I2ZHW0.72
TYSO-SULFO-L-TYROSINEB2K3U0.72
TYSO-SULFO-L-TYROSINEH,I3DHK0.72
TYSO-SULFO-L-TYROSINEB,C1KTT0.72
TYSO-SULFO-L-TYROSINEH,I2BVS0.72
TYSO-SULFO-L-TYROSINE31NY20.72
TYSO-SULFO-L-TYROSINEB,C1CA80.72
TYSO-SULFO-L-TYROSINEH,I1GHW0.72
TYSO-SULFO-L-TYROSINE2,31C4V0.72
TYSO-SULFO-L-TYROSINEH,I2ZIQ0.72
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.7
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.7
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.73
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)
A2VJ80.73
FLTFLUOROMALONYL TYROSINEI1BZH0.71
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
STH2-AMINO-4H-1,3-BENZOXATHIIN-4-OLA,B,C,D1XKL0.72
C4MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE
B,I2C930.73
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
A,B1J1A0.76
TDZ(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-
TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-
2,4-DIONE
A,B2QM90.7
TDZ(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-
TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-
2,4-DIONE
A2VN00.7
TI2(2-SULFANYL-3-PHENYLPROPANOYL)-
PHE-TYR
A1QF00.73
MBSA,B1HY70.83
5TN(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-
3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1V0.7
AIT(2S,3R)-3-(4-HYDROXYPHENYL)-2-(4-
{[(2R)-2-PYRROLIDIN-1-YLPROPYL]OXY}PHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL
A1XPC0.71
LIJBENZYL [(1S)-2-({(1S,2R)-1-BENZYL-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)-
2-OXO-1-{[(1-PROPYLBUTYL)SULFONYL]METHYL}ETHYL]CARBAMATE
A,B,C2HIZ0.76
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.71
LK1N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
L-GLUTAMIC ACID
A2JFH0.76
DRS(9S,12S)-9-(1-methylethyl)-7,10-
dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-
1(16),14,17-triene-12-carboxylic acid
A,B3BXS0.7
LK4N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-
2-YL}SULFONYL)-D-GLUTAMIC ACID
A2UUP0.73
LK4N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-
2-YL}SULFONYL)-D-GLUTAMIC ACID
A2VTE0.73
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3R0.72
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.72
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3I0.72
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.71
OHT4-HYDROXYTAMOXIFENA3ERT0.74
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.74
OHT4-HYDROXYTAMOXIFENA,B1VJB0.74
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.74
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.74
OHT4-HYDROXYTAMOXIFENA2GPU0.74
OHT4-HYDROXYTAMOXIFENA2P7Z0.74
OHT4-HYDROXYTAMOXIFENA,B2BJ40.74
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.74
LK2N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
D-GLUTAMIC ACID
A2JFF0.76
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.73
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.73
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.71
AIH(2S,3R)-2-(4-{2-[(3R,4R)-3,4-DIMETHYLPYRROLIDIN-
1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL
A1XP10.7
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.72
AIU(2S,3R)-2-(4-{2-[(3S,4S)-3,4-DIMETHYLPYRROLIDIN-
1-YL]ETHOXY}PHENYL)-3-(4-HYDROXYPHENYL)-
2,3-DIHYDRO-1,4-BENZOXATHIIN-6-
OL
A1XP60.7
TBLN-[(4-methoxyphenyl)sulfonyl]-D-
alanine
A3EHY0.73
DYSS-[5-(2-aminoethyl)-2,3-dihydroxyphenyl]-
L-cysteine
B2R1T0.73
AGGTIROFIBANA,B2VDM0.76
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.76
EINA1ZS00.73
FINA1ZVX0.73
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.72
TOLTOLRESTATA2PDL0.71
TOLTOLRESTATA2FZD0.71
TOLTOLRESTATA2FZB0.71
TOLTOLRESTATA1AH30.71
TOLTOLRESTATX1ZUA0.71
TOLTOLRESTATA1AE40.71
4TN(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRONAPHTHALEN-2-
YL)-4-HYDROXYPHENYL]ACRYLIC ACID
A2P1U0.71
NYSS-{5-[(1R)-2-amino-1-hydroxyethyl]-
2,3-dihydroxyphenyl}-L-cysteine
B2R1V0.71
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.73
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.73
LK3N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-
D-GLUTAMIC ACID
A2UUO0.76
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.74
T333,3'-DEIODO-THYROXINEA,B1THA0.75
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.7
886N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-
4-yl}sulfonyl)-D-valine
A,B,C,D2RJP0.78
LKMN-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-
2-YL}SULFONYL)-D-GLUTAMIC ACID
A2VTD0.72
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.75