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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01339615

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.73
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.74
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,B3HY90.72
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.73
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.81
CR7[(4Z)-2-[(1S)-1,5-DIAMINOPENTYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A2A470.72
CR7[(4Z)-2-[(1S)-1,5-DIAMINOPENTYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A2A480.72
CR7[(4Z)-2-[(1S)-1,5-DIAMINOPENTYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A2A460.72
NYG[(4Z)-2-[(1S)-1,3-DIAMINO-3-OXOPROPYL]-
4-(4-HYDROXYBENZYLIDENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID
A,B2OJK0.72
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.73
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
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.72
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
A,B1J1A0.71
TYBTYROSINALA,B1KDZ0.71
TYBTYROSINALA1Q110.71
TYBTYROSINALA,B2J5B0.71
TYBTYROSINALA,I1GA40.71
TYBTYROSINALA,B,C1NLU0.71
TYBTYROSINALA,B1KE10.71
TYBTYROSINALA,B1H3F0.71
TYBTYROSINALA,B1H3E0.71
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
A1HJ10.71
099(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-
N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]butanediamide
A,B3HYG0.73
DYG(3S)-3-amino-3-[(4Z)-1-(carboxymethyl)-
4-[(4-hydroxyphenyl)methylidene]-
5-oxo-imidazol-2-yl]propanoic acid
A,B2PXS0.7
DYG(3S)-3-amino-3-[(4Z)-1-(carboxymethyl)-
4-[(4-hydroxyphenyl)methylidene]-
5-oxo-imidazol-2-yl]propanoic acid
A,B1XSS0.7
DYG(3S)-3-amino-3-[(4Z)-1-(carboxymethyl)-
4-[(4-hydroxyphenyl)methylidene]-
5-oxo-imidazol-2-yl]propanoic acid
A,B2PXW0.7
F165-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-
ONE 1,1-DIOXIDE
A2CM80.7
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)
A2VJ80.7
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE
A1W510.73
CRVN-[1-(AMINOMETHYL)CYCLOPROPYL]-
3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-
TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-
L-ALANINAMIDE
A,B2FRA0.7
TYPCYCLO-(L-TYROSINE-L-PROLINE) INHIBITORA,B1W1Y0.75
0E4N-acetyl-L-tyrosyl-L-valyl-L-alanyl-
L-aspartic acid
B,D3GJS0.73
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.72
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)
A,B,C3CMP0.73
MR0N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
N~1~,N~1~-DIPROPYLBENZENE-1,3,5-
TRICARBOXAMIDE
A,B,C2P830.71
VRV6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-
4-PHENYL-1,2-DIHYDROPYRIDINE-3-
CARBONITRILE
A2OBJ0.7
SD2N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDEA,B1PWQ0.71
MTYMETA-TYROSINEA2TOH0.72
MTYMETA-TYROSINEA,B1BIQ0.72
MTYMETA-TYROSINEA1Q7O0.72
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.74
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.85
IYGN-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINEA1OPM0.72
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
843N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-O-PHOSPHONOTYROSINAMIDE
A1O420.7
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.77
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.72
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.72
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.73
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE
A,B1KZK0.71
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE
B1MSM0.71
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE
A,B2ANL0.71
JE2(R)-N-(2-METHYLBENZYL)-3-[(2S,3S)-
2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO-
4-PHENYLBUTANOYL]-5,5-DIMETHYL-
1,3-THIAZOLIDINE-4-CARBOXAMIDE
B1MSN0.71
LDPL-DOPAMINEA,B2A3R0.71
LDPL-DOPAMINEA5PAH0.71
LDPL-DOPAMINEA,B2QMZ0.71
LDPL-DOPAMINEA,B2VQ50.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.72
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.72
TTS3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYPHENYL)ETHYL]IMINO}-
6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ALANINE
A,B2D1W0.71
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.7
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C1L6M0.7
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3CBC0.7
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3BY00.7
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,H1XM10.73
TYCL-TYROSINAMIDEA2BF90.75
TYCL-TYROSINAMIDEA2OCI0.75
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.71
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B2AH80.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1HCJ0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1W7S0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1W7T0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B2AHA0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A1EME0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B1KP50.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A1EMM0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A1EML0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1W7U0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1EMC0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A2HPW0.7
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.71
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
TNC4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-
3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-
2-CARBOXYLIC ACID AMIDE
A,B1N5Q0.71
CS5N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
A,B2QK50.71
3XH3-Hydroxyhippuric acidA3E9K0.76
CTACYCLOTHEONAMIDE AA1TYN0.74
AEF4-(2-aminoethyl)phenolA3BRA0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
TI2(2-SULFANYL-3-PHENYLPROPANOYL)-
PHE-TYR
A1QF00.76
YVNN-({(1R,2R,3S)-2-(methylcarbamoyl)-
3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-
L-valyl-L-aspartamide
A,B2HUW0.7
AJH4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-
1,4-diazepan-1-yl}carbonyl)benzoic acid
A,B3EIO0.71
C1NN-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-
[3-FLUORO-1-(4-HYDROXYBENZYL)-2-
OXOPROPYL]LEUCINAMIDE
A1ZCM0.72
TVNN-{(2R)-4-(methylamino)-4-oxo-2-
[4-(phosphonooxy)benzyl]butanoyl}-
L-valyl-L-aspartamide
A3C7I0.72
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.7