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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00456185

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
186[1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)-
2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER
X1U9Q0.74
3XH3-Hydroxyhippuric acidA3E9K0.74
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.72
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.76
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.76
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.71
9971-[3,3-DIMETHYL-2-(2-METHYLAMINO-
PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-
PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-
TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE
A1TFT0.71
ADF4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-
1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-
3-TERT-BUTYLBENZOIC ACID
A2G5P0.71
ALDCARBOBENZYLOXYLEUCINYL-LEUCINYL-
LEUCINAL
A1BP40.75
AGGTIROFIBANA,B2VDM0.73
0E4N-acetyl-L-tyrosyl-L-valyl-L-alanyl-
L-aspartic acid
B,D3GJS0.74
AYG[(4E)-2-[(1S)-1-AMINOETHYL]-4-(4-
HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-
1H-IMIDAZOL-1-YL]ACETIC ACID
A,B2OTB0.73
AYG[(4E)-2-[(1S)-1-AMINOETHYL]-4-(4-
HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-
1H-IMIDAZOL-1-YL]ACETIC ACID
A,B2OTE0.73
AYG[(4E)-2-[(1S)-1-AMINOETHYL]-4-(4-
HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-
1H-IMIDAZOL-1-YL]ACETIC ACID
A2HQK0.73
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.71
3MB3-METHOXYBENZAMIDEA3PAX0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.76
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.76
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.76
0EZtert-butyl [(1S,2S)-1-benzyl-2-
hydroxy-3-{[(8S,11R)-8-[(1R)-1-
methylpropyl]-7,10-dioxo-2-oxa-
6,9-diazabicyclo[11.2.2]heptadeca-
1(15),13,16-trien-11-yl]amino}propyl]carbamate
A,B1MTR0.76
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE
A2B5J0.71
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL20.84
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL10.84
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.73
959benzyl (2-oxopropyl)carbamateA3D620.73
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.75