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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013969

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RHQRHODAMINE 6GA,B,D,E1JUS0.79
RHQRHODAMINE 6GA,B,D,E3BR50.79
RHQRHODAMINE 6GA,D,E3BR60.79
RHQRHODAMINE 6GA,B3D6Z0.79
RHQRHODAMINE 6GA1OY80.79
RHQRHODAMINE 6GA1T9V0.79
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide
A2VIQ0.74
MDCN-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-
3-CARBOXAMIDE
A1A540.83
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.71
RPF1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-
PHENYL}-6-(1,2,,3,4-TETRAHYDRO-
QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-
2-ONE
A,B2BKT0.72
ILBA2FPT0.73
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID
A,B,C,D1G9V0.71
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.74
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.74
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.74
B11N-[3-(4-FLUOROPHENOXY)PHENYL]-4-
[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-
1-SULFONAMIDE
A1ZZ20.74
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER
A4UPJ0.75
3232-[3,6-bis(dimethylamino)xanthen-
9-yl]-5-methanoyl-benzoate
A,P,Q3D1F0.73
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.7
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.88
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.88
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.88
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.88
MXX5,8-dimethoxy-1,4-dimethylquinolin-
2(1H)-one
A,B3GAM0.77
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.76
R6GRHODAMINE 6GB2V3L0.74
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.72
ILHA2FQI0.74
3FTA2BXV0.75
RXDN-[3-(2-fluoroethoxy)phenyl]-N'-
(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
6-yl)butanediamide
A,B,C,D3DEK0.71
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.72
GWB4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-
3-ISOPROPYLQUINOLIN-2(1H)-ONE
A1TKX0.71
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.78
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.76
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.73
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.77
331(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-
1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-
METHYLBUTYRIC ACID
A,B1Y0S0.73
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.72
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.73