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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00840459

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TNC4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-
3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-
2-CARBOXYLIC ACID AMIDE		A,B1N5Q0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.72
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.72
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.74
15M(5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY-
2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT-
1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT-
5-ENAMIDE		A2F380.71
DK22-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-
1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID		A,B2PU20.73
843N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE		A1O420.71
ARYARYLOMYCIN A2A,B1T7D0.74
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID		A1ERQ0.74
PTC2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-
PHENYL)-CYCLOPROPANECARBOXYLIC ACID		C,D1IS00.73
DAI(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-
3A,4,9,9A-TETRAHYDRO-4,9[1',2']-
BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-
DIONE		A,B,C,D1YLS0.71
DAI(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL-
3A,4,9,9A-TETRAHYDRO-4,9[1',2']-
BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)-
DIONE		A,B,C,D1YKV0.71
IFAA,B3FC80.71
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione		A3G5H0.79
099(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-
N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]butanediamide		A,B3HYG0.75
AOEN-BUTYL-11-[(7R,8R,9S,13S,14S,17S)-
3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17-
DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN-
7-YL]-N-METHYLUNDECANAMIDE		A1HJ10.81
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID		A,B1J1A0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.71
TI2(2-SULFANYL-3-PHENYLPROPANOYL)-
PHE-TYR		A1QF00.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)		A2VJ80.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.71
TYPCYCLO-(L-TYROSINE-L-PROLINE) INHIBITORA,B1W1Y0.75
0E4N-acetyl-L-tyrosyl-L-valyl-L-alanyl-
L-aspartic acid		B,D3GJS0.73
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.73
DESDIETHYLSTILBESTROLA,B3ERD0.73
DESDIETHYLSTILBESTROLA,B1TT60.73
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.73
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID		A1KQU0.71
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.7
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE		A2EW60.74
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
DRRA,B3BXR0.72
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.71
EQIEQUILINA,B1EQU0.72
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
MTYMETA-TYROSINEA2TOH0.72
MTYMETA-TYROSINEA,B1BIQ0.72
MTYMETA-TYROSINEA1Q7O0.72
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.71
CJO[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-
4-(4-hydroxybenzyl)-5-oxoimidazolidin-
1-yl]acetic acid		A2QT20.7
IYGN-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINEA1OPM0.72
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
CMQN~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-
2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-
L-LEUCINAMIDE		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2FZS0.73
PI7N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-
OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-
1(16),13(17),14-TRIEN-11-YAMINO)-
2-HYDROXY-1-(4-HYDROXY-BENZYL) -
PROPYL]-3-METHYL-2-PROPIONYLAMINO-
BUTYRAMIDE		A,B1B6P0.71
TYBTYROSINALA,B1KDZ0.72
TYBTYROSINALA1Q110.72
TYBTYROSINALA,B2J5B0.72
TYBTYROSINALA,I1GA40.72
TYBTYROSINALA,B,C1NLU0.72
TYBTYROSINALA,B1KE10.72
TYBTYROSINALA,B1H3F0.72
TYBTYROSINALA,B1H3E0.72
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.76
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
C1NN-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-
[3-FLUORO-1-(4-HYDROXYBENZYL)-2-
OXOPROPYL]LEUCINAMIDE		A1ZCM0.75
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid		A,B2ZNQ0.7
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.76
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.72
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.7
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.7
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME		A,B,C2OOW0.71
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE		A,B2FME0.78
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J		2BYS0.73
1C5[[O-PHOSPHONO-N-ACETYL-TYROSINYL]-
GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-
AMINE		A1BKM0.74
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H		2G0B0.78
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.71
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.71
TYCL-TYROSINAMIDEA2BF90.75
TYCL-TYROSINAMIDEA2OCI0.75
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
098(3R)-N~2~-(cyclopropylmethyl)-N~1~-
hydroxy-3-(3-hydroxybenzyl)-N~4~-
[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]-L-aspartamide		A,B3HY90.71
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol		X2W6C0.78
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione		A,B2ZI80.71
AC6P-HYDROXYACETOPHENONEA2GQ80.71
AC6P-HYDROXYACETOPHENONEX2O480.71
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE		A,B2UXI0.7
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE		A,B3FCB0.71
SD2N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDEA,B1PWQ0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.74
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID		A3CBS0.71
GAHN-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-
3-CYCLOHEXYL-L-ALANYL)AZETIDIN-
2-YL]CARBONYL}-L-TYROSYL-N~6~-[AMINO(IMINO)METHYL]-
L-LYSINAMIDE		A,H1XM10.72
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.71
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,B3BXS0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
YOF3-FLUOROTYROSINEA,B1XIL0.71
YOF3-FLUOROTYROSINEA,B1XDC0.71
YOF3-FLUOROTYROSINEA1RRX0.71
YOF3-FLUOROTYROSINEA,B3FYG0.71
YVNN-({(1R,2R,3S)-2-(methylcarbamoyl)-
3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-
L-valyl-L-aspartamide		A,B2HUW0.7
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.76
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.78
EQUEQUILENINA,B1OGX0.71
EQUEQUILENINA,B,C,D,E,F1QJG0.71
EQUEQUILENINA,B1OH00.71
EQUEQUILENINA1W6Y0.71
EQUEQUILENINA,B1CQS0.71
EQUEQUILENINA1OGZ0.71
EQUEQUILENINA1GS30.71
EQUEQUILENINA1OHO0.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
TVNN-{(2R)-4-(methylamino)-4-oxo-2-
[4-(phosphonooxy)benzyl]butanoyl}-
L-valyl-L-aspartamide		A3C7I0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.72
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol		A,B3EKR0.8