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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00289167

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MC1METHICILLIN ACYL-SERINEA,B1MWU0.78
AXL2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)-
ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
B1LL90.71
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.71
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C1L6M0.71
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3CBC0.71
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3BY00.71
VRX(2S)-({(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-
4-OXO-4,5-DIHYDRO-1,3-THIAZOL-2-
YL}AMINO)(4-FLUOROPHENYL)ACETIC ACID
A,B2HWI0.77
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,B3BXS0.72
CNE(3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-
3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-
3-OXOPROP-1-ENYL]PHENYL}ACETYL)-
D-VALYL]AMINO}-4-OXOPENTANOIC ACID
A1RHR0.73
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
A,B2ZNP0.73
KEFCEFUROXIME (OCT-3-ENE FORM)A1QMF0.74
MFNN-[4,5,7-TRICARBOXYHEPTANOYL]-L-
GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-
3-FURYL}METHOXY)PHENYL]ETHYL}-D-
GLUTAMINE
A,B,C,D2FHK0.76
MFNN-[4,5,7-TRICARBOXYHEPTANOYL]-L-
GAMMA-GLUTAMYL-N-{2-[4-({5-[(FORMYLAMINO)METHYL]-
3-FURYL}METHOXY)PHENYL]ETHYL}-D-
GLUTAMINE
A,B,C,D2FHJ0.76
9INN-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-
((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-
2-OXOPYRROLIDIN-3-YL]METHYL}BUT-
2-ENYL)-D-LEUCINAMIDE
A,B2AMD0.74
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE
C,O2V120.76
INX2-(CARBOXYMETHOXY)-5-[(2S)-2-({(2S)-
2-[(3-CARBOXYPROPANOYL)AMINO] -
3-PHENYLPROPANOYL}AMINO)-3-OXO-
3-(PENTYLAMINO)PROPYL]BENZOIC ACID
A1G7G0.73
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
A,B1J1A0.7
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE
A2V130.77
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.71
3XH3-Hydroxyhippuric acidA3E9K0.71
DEOA,B1ROS0.71
FLEFUROYL-LEUCINEA,B3DSL0.75
FLEFUROYL-LEUCINEA3AIG0.75
FLEFUROYL-LEUCINEI,P2AIG0.75
NFN6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLATE
A1T9W0.76
PI1A,B1B6J0.71
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL20.72
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL10.72
CES2-[CARBOXY-(2-FURAN-2-YL-2-METHOXYIMINO-
ACETYLAMINO)-METHYL]-5-METHYL-3,6-
DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
A1QMF0.77
MUVN-{(1S,2R)-1-BENZYL-3-[(CYCLOPROPYLMETHYL)(2-
FURYLSULFONYL)AMINO]-2-HYDROXYPROPYL}-
N'-METHYLSUCCINAMIDE
A,B2PSV0.73