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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02942240

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.78
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.78
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.78
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.78
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
B2G630.72
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide
A2VIQ0.74
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.72
331(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-
1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-
METHYLBUTYRIC ACID
A,B1Y0S0.76
RXDN-[3-(2-fluoroethoxy)phenyl]-N'-
(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
6-yl)butanediamide
A,B,C,D3DEK0.7
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.74
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE
A,B,C,D,E,F,
G,H
2ACL0.71
MDCN-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-
3-CARBOXAMIDE
A1A540.88
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE
A,B1EH40.7
3MR(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-
3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE
A2Q150.7
BN55-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2-METHYLPHENOXY]PENTANOIC ACID
A1WV10.72
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.71
VG4N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-
1H-pyrrol-1-yl)-5-propoxybenzamide
A2VIZ0.72
RPF1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-
PHENYL}-6-(1,2,,3,4-TETRAHYDRO-
QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-
2-ONE
A,B2BKT0.71
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.73
R6GRHODAMINE 6GB2V3L0.75
3232-[3,6-bis(dimethylamino)xanthen-
9-yl]-5-methanoyl-benzoate
A,P,Q3D1F0.71
012(4S)-N-[(1S,2R)-1-benzyl-3-{[3-
(dimethylamino)benzyl]amino}-2-
hydroxypropyl]-1-(3-methoxybenzyl)-
2-oxoimidazolidine-4-carboxamide
A,B,C3CKP0.72
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.76
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.76
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER
A4UPJ0.76
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.72
JPR1-(3-chloro-4-methylphenyl)-3-{2-
[({5-[(dimethylamino)methyl]-2-
furyl}methyl)thio]ethyl}urea
A2JPR0.7
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.76
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.74
RHQRHODAMINE 6GA,B,D,E1JUS0.75
RHQRHODAMINE 6GA,B,D,E3BR50.75
RHQRHODAMINE 6GA,D,E3BR60.75
RHQRHODAMINE 6GA,B3D6Z0.75
RHQRHODAMINE 6GA1OY80.75
RHQRHODAMINE 6GA1T9V0.75
MXX5,8-dimethoxy-1,4-dimethylquinolin-
2(1H)-one
A,B3GAM0.73
GSG1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-
HEXAHYDROPYRROLO[2,3-B]INDOL-5-
YL 2-ETHYLPHENYLCARBAMATE
A2BAG0.73
FLGFLUORESCEINYLTHIOUREIDOA,B1OCB0.75