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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03020130

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE		A,B2AOT0.75
HC7(2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-
4-yl]-2-hydroxy-4,4-dimethylmorpholin-
4-ium		A3FEG0.73
MX4{1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACIDI2C2M0.72
BCG3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID		H1QYG0.79
SB31,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-
1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE		A1FKG0.75
HTQHOMOTROPINEA,B,C2DQZ0.76
HTQHOMOTROPINEA,B,C,D,E,F1MX50.76
0E3N-acetyl-L-valyl-O-benzyl-L-threonyl-
N-[(1R)-2-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}propyl]-L-leucinamide		A2Z3C0.7
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.71
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.73
ZPRN-BENZYLOXYCARBONYL-L-PROLYL-L-
PROLINAL		A1QFS0.72
ZPRN-BENZYLOXYCARBONYL-L-PROLYL-L-
PROLINAL		A1H2Y0.72
BEZBENZOIC ACIDA,B2F8D0.7
BEZBENZOIC ACIDA,B1A8U0.7
BEZBENZOIC ACIDA,B1REE0.7
BEZBENZOIC ACIDA1L7Q0.7
BEZBENZOIC ACIDA1I690.7
BEZBENZOIC ACIDH,L1RUL0.7
BEZBENZOIC ACIDA,B3CCF0.7
BEZBENZOIC ACIDA1W9Q0.7
BEZBENZOIC ACIDA,B,G,J2DU80.7
BEZBENZOIC ACIDH,L1RUA0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1H4O0.7
BEZBENZOIC ACIDH,L1RU90.7
BEZBENZOIC ACIDA,B,C,D2V320.7
BEZBENZOIC ACIDA2QMQ0.7
BEZBENZOIC ACIDA1UKB0.7
BEZBENZOIC ACIDA,B1RED0.7
BEZBENZOIC ACIDA,B1OC30.7
BEZBENZOIC ACIDA,B1REF0.7
BEZBENZOIC ACIDA,B2O020.7
BEZBENZOIC ACIDA,B2VJ10.7
BEZBENZOIC ACIDA,B,C1WSP0.7
BEZBENZOIC ACIDA1HZ40.7
BEZBENZOIC ACIDA2Q380.7
BEZBENZOIC ACIDA,B,C,D1UUJ0.7
BEZBENZOIC ACIDA,B2QL80.7
BEZBENZOIC ACIDA2Q0I0.7
BEZBENZOIC ACIDA,B1S8F0.7
BEZBENZOIC ACIDD,E,F,G,H1DJR0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I		1ONI0.7
BEZBENZOIC ACIDA,B,C,D1I7Q0.7
BEZBENZOIC ACIDA,B,C,D2RHM0.7
BEZBENZOIC ACIDA,B2F780.7
BEZBENZOIC ACIDA,B2VL20.7
BEZBENZOIC ACIDA1HD20.7
BEZBENZOIC ACIDA1JU40.7
BEZBENZOIC ACIDH,L2AJY0.7
BEZBENZOIC ACIDA,B,C3GV10.7
BEZBENZOIC ACIDA2Q6U0.7
BEZBENZOIC ACIDA,B1VE90.7
BEZBENZOIC ACIDA,B1S9A0.7
BEZBENZOIC ACIDH,L,M1OP30.7
BEZBENZOIC ACIDA1W9E0.7
BEZBENZOIC ACIDA,B,C,D2V2G0.7
BEZBENZOIC ACIDH,L2AK10.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		2V410.7
BEZBENZOIC ACIDA,B1GYX0.7
BEZBENZOIC ACIDA1V1T0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.7
BEZBENZOIC ACIDA,B1HKQ0.7
BEZBENZOIC ACIDH,L1RUK0.7
BEZBENZOIC ACIDA2Q1B0.7
BEZBENZOIC ACIDH,L1RUM0.7
BEZBENZOIC ACIDA,B2F7A0.7
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1KIF0.7
BEZBENZOIC ACIDA,B2V7B0.7
BEZBENZOIC ACIDH1NCW0.7
BEZBENZOIC ACIDA,B1TMX0.7
BEZBENZOIC ACIDA1URM0.7
BEZBENZOIC ACIDA1W9O0.7
BEZBENZOIC ACIDA,B,C,D1GXS0.7
BEZBENZOIC ACIDH1RUP0.7
BEZBENZOIC ACIDA,B,C,D1KQB0.7
BEZBENZOIC ACIDA2Q9R0.7
BEZBENZOIC ACIDD,H2OK60.7
BEZBENZOIC ACIDA,B2Q0J0.7
ZAHN-[(BENZYLOXY)CARBONYL]-L-ALANYL-
L-PROLINE		A,B2BKL0.72
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE		A1TH60.73
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE		A2ARM0.73
NBLN2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-
1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE		A1YK70.7
COCCOCAINEA,C1I7Z0.8
COCCOCAINEH1Q720.8
COCCOCAINEL2AJV0.8
COCCOCAINEA,B,C,D,E2PGZ0.8
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.7
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.7
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J		2BYS0.74
MBOMERCURIBENZOIC ACIDA2QO80.7
MBOMERCURIBENZOIC ACIDA1LUG0.7
MBOMERCURIBENZOIC ACIDA2HOC0.7
MBOMERCURIBENZOIC ACIDA3EFI0.7
MBOMERCURIBENZOIC ACIDA3BL00.7
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.7
MBOMERCURIBENZOIC ACIDA3CAJ0.7
MBOMERCURIBENZOIC ACIDA1DR70.7
MBOMERCURIBENZOIC ACIDA2HL40.7
MBOMERCURIBENZOIC ACIDA2GD80.7
MBOMERCURIBENZOIC ACIDA2QP60.7
MBOMERCURIBENZOIC ACIDA2HD60.7
MBOMERCURIBENZOIC ACIDA3C7P0.7
MBOMERCURIBENZOIC ACIDA,B2JHN0.7
MBOMERCURIBENZOIC ACIDA1DR60.7
MBOMERCURIBENZOIC ACIDA2HNC0.7
MBOMERCURIBENZOIC ACIDA2QOA0.7
959benzyl (2-oxopropyl)carbamateA3D620.7
73VBENZYL N-({(2S,3S)-3-[(PROPYLAMINO)CARBONYL]OXIRAN-
2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE		A2DC60.71
RBE3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID		H1RIU0.77
ZU5N-[(benzyloxy)carbonyl]-O-tert-
butyl-L-threonyl-N-[(1R)-4-cyclopropyl-
4-oxo-1-{[(3S)-2-oxopyrrolidin-
3-yl]methyl}butyl]-L-leucinamide		A2ZU50.7
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.72
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.79
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.72
AI73-(heptyloxy)benzoic acidA,B2O3Z0.7
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.71
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A1MVC0.71
BM64-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-
2-YL]-BENZOIC ACID		A,C,E,G1MZN0.71
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.7
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.7