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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02335571

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOF0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2HPT0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1TXR0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1XRY0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2EK90.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1HS60.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A2DQM0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A3EBH0.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A1GW60.73
BES2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-
4-METHYL-PENTANOIC ACID
A,B2ZOG0.73
1BHN-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO-
4-PHENYL-BUTAN-2-OL
A1BH60.77
AGFO-(((1R)-((N-(PHENYL-METHOXY-CARBONYL)-
ALANYL)-AMINO)METHYL)HYDROXYPHOSPHINYL)3-
L-PHENYLLACTATE
A8CPA0.7
73VBENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
A2DC60.77
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
X1U9Q0.73
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B2AH80.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1HCJ0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1W7S0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1W7T0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B2AHA0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A1EME0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B1KP50.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A1EMM0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A1EML0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1W7U0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1EMC0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A2HPW0.71
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H9H0.73
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2HAL0.73
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2A4O0.73
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H6M0.73
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2CXV0.73
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.71
0E3N-acetyl-L-valyl-O-benzyl-L-threonyl-
N-[(1R)-2-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}propyl]-L-leucinamide
A2Z3C0.73
ALDCARBOBENZYLOXYLEUCINYL-LEUCINYL-
LEUCINAL
A1BP40.73
ESYbenzyl N-[(benzyloxy)carbonyl]-
L-alanyl-N~6~-[(2R,3S,4S)-3-formyl-
2-hydroxy-4-methylhexanoyl]-L-lysinate
K,Y3E470.71
COCCOCAINEA,C1I7Z0.7
COCCOCAINEH1Q720.7
COCCOCAINEL2AJV0.7
COCCOCAINEA,B,C,D,E2PGZ0.7
959benzyl (2-oxopropyl)carbamateA3D620.73
BO9N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-
N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-
GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-
L-LYSINAMIDE
A1Z6F0.72
77BBENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE
A2DCC0.74
ALZH,I1AFE0.74
0E2N-acetyl-L-valyl-O-benzyl-L-threonyl-
N-[(1R,2R)-2-hydroxy-1-{[(3R)-2-
oxopyrrolidin-3-yl]methyl}propyl]-
L-leucinamide
A2Z3C0.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBY0.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H4Y0.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBR0.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H4W0.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H480.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H540.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H510.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBZ0.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBQ0.71
CJO[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-
4-(4-hydroxybenzyl)-5-oxoimidazolidin-
1-yl]acetic acid
A2QT20.71
CZO[(2R,4S)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-
2-hydroxy-4-(4-hydroxybenzyl)-5-
oxoimidazolidin-1-yl]acetic acid
A2QRF0.7