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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01384544

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NHNA,C2GVF0.73
PFA[4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-
3,5-DIMETHYL-PHENYL]-6-AZAURACIL
A,B1N460.7
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE
A,B,C,D,E,F,
G,H
2ACL0.8
MKR1-{(3R,3AR)-3-[3-(4-ACETYLPIPERAZIN-
1-YL)PROPYL]-8-FLUORO-3-PHENYL-
3A,4-DIHYDRO-3H-PYRAZOLO[5,1-C][1,4]BENZOXAZIN-
2-YL}ETHANONE
A,B2Q2Y0.73
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
A,B2FV50.75
T1D5-(4-METHOXYBIPHENYL-3-YL)-1,2,5-
THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE
A2BGD0.74
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.77
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.76
PI8N-13-[(10S,13S)-9,12-DIOXO-10-(2-
BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-
15,17,18-TRIENE] (2R)-BENZYL-(4S)-
HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-
(2S)-INDANEAMIDE
A,B1D4K0.7
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID
A,B,C,D1G9V0.71
413(S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-
PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-
ACETYLAMINO]-PHENYL-ACETIC ACID
H,L1W7X0.7
413(S)-[(R)-2-(4-BENZYLOXY-3-METHOXY-
PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)-
ACETYLAMINO]-PHENYL-ACETIC ACID
H1W8B0.7
RPF1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-
PHENYL}-6-(1,2,,3,4-TETRAHYDRO-
QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-
2-ONE
A,B2BKT0.75
MDCN-[2-(1-MALEIMIDYL)ETHYL]-7-DIETHYLAMINOCOUMARIN-
3-CARBOXAMIDE
A1A540.71
380(2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)-
N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE
H,L1W2K0.72
346(R)-(4-CARBAMIMIDOYL-PHENYLAMINO)-
[5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO-
FURAN-3-YLOXY]-PHENYL]-ACETIC ACID
H2BZ60.71
CS9N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN-
2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
A,B2QMF0.7
ILBA2FPT0.72
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE
B2FS40.74
PZ1(6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-
DIHYDROQUINOLIN-7-YL]OXY}METHYL)-
1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-
2-ONE
A2BKS0.74
J67(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-
8-yl)methyl]-4-[(E)-2-phenylethenyl]-
1H-indole-2,3-dione 3-oxime
X3G9L0.74
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide
A2VIQ0.72
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE
A,B1EH40.72
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.73
3MR(4S)-4-(2-AMINO-6-PHENOXYQUINAZOLIN-
3(4H)-YL)-N,4-DICYCLOHEXYL-N-METHYLBUTANAMIDE
A2Q150.7
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.77
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.71
GNQN-[(1R)-1-[(BENZYLSULFONYL)METHYL]-
2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-
2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
A,B2HHN0.76
GNQN-[(1R)-1-[(BENZYLSULFONYL)METHYL]-
2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-
2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE
A,B2HH50.76
BN44-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2,3-DIMETHYLPHENOXY]BUTANOIC ACID
A1WV00.71
3FTA2BXV0.74
R373-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE
A1LF20.7
VG24-(2-aminoethoxy)-N-(3-chloro-5-
piperidin-1-ylphenyl)-3,5-dimethylbenzamide
A2VIV0.7
012(4S)-N-[(1S,2R)-1-benzyl-3-{[3-
(dimethylamino)benzyl]amino}-2-
hydroxypropyl]-1-(3-methoxybenzyl)-
2-oxoimidazolidine-4-carboxamide
A,B,C3CKP0.77
BN34-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACIDA1WUY0.7
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER
A4UPJ0.76
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.71
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.71
9971-[3,3-DIMETHYL-2-(2-METHYLAMINO-
PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-
PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-
TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE
A1TFT0.74
FIR(2R,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE
A1X970.82
R364-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE
A1LEE0.71
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
A2VIZ0.74
RXDN-[3-(2-fluoroethoxy)phenyl]-N'-
(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
6-yl)butanediamide
A,B,C,D3DEK0.76
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE
A2PDW0.82
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE
A2AGT0.82
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE
A2PF80.82
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE
A2PFH0.82
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE
A1PWM0.82
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE
A2PEV0.82
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE
A2PDY0.82
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE
A,B1EF30.82
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE
A2PD90.82
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE
A3H4G0.82
FIS(2S,4R)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE
A3BCJ0.82
FIS(2S,4R)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE
A1X980.82
ILHA2FQI0.7
SBISORBINILA1AH00.86
SBISORBINILA2PDK0.86
DRRA,B3BXR0.71
J88(3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-
8-yl)methyl]-4-phenyl-1H-indole-
2,3-dione 3-oxime
A3G9N0.74
4266-[(Z)-AMINO(IMINO)METHYL]-N-[3-
(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE
A1OWI0.71
R6GRHODAMINE 6GB2V3L0.7
J72(3E)-5-fluoro-1-[(6-fluoro-4H-1,3-
benzodioxin-8-yl)methyl]-1H-indole-
2,3-dione 3-oxime
X3G900.76
319N-({4-[(2-aminopyridin-4-yl)oxy]-
3-fluorophenyl}carbamoyl)-2-(4-
fluorophenyl)acetamide
A3CTH0.73
331(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-
1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-
METHYLBUTYRIC ACID
A,B1Y0S0.75
I25(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3-
[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-
5-ETHYLPHENYL}ACETIC ACID
H,I2V3H0.71
I26(2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]{3-
[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-
5-ETHYL-2-FLUOROPHENYL}ETHANOIC ACID
H2V3O0.72