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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01495976

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.75
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.75
R373-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE
A1LF20.71
CNO2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-
ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-
METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID
A,B,C,D1K0Y0.72
AVE4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-
3-trifluoromethoxybenzoic acid
A,B3CEH0.71
D564-(2-aminoethoxy)-N-(3-chloro-2-
ethoxy-5-piperidin-1-ylphenyl)-
3,5-dimethylbenzamide
A2VIW0.73
6CAA2FLM0.71
MBQ2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE
A1SIH0.74
RHQRHODAMINE 6GA,B,D,E1JUS0.71
RHQRHODAMINE 6GA,B,D,E3BR50.71
RHQRHODAMINE 6GA,D,E3BR60.71
RHQRHODAMINE 6GA,B3D6Z0.71
RHQRHODAMINE 6GA1OY80.71
RHQRHODAMINE 6GA1T9V0.71
DPAA,B1PIK0.72
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE
A,B1EH40.73
BPDN-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-
4,6-DICARBOXYLIC ACID
A1DVY0.83
GWEN-{4-[amino(dihydroxy)-lambda~4~-
sulfanyl]-2-methylphenyl}-2-(4-
chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide
A,B3DMJ0.74
GWEN-{4-[amino(dihydroxy)-lambda~4~-
sulfanyl]-2-methylphenyl}-2-(4-
chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide
A,B3DLG0.74
GWEN-{4-[amino(dihydroxy)-lambda~4~-
sulfanyl]-2-methylphenyl}-2-(4-
chloro-2-{[3-fluoro-5-(trifluoromethyl)phenyl]carbonyl}phenoxy)acetamide
A,B3DM20.74
757A,B,C3DM60.72
1954-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6Q0.72
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDU0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDC0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDP0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PZN0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2PDJ0.7
393(5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACIDA2IKJ0.7
4182-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-
3-{4-[(2-CARBOXY-PHENYL)-OXALYL-
AMINO]-PHENYL}-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER
A1PH00.71
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.73
5153-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-
CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-
L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID
A1NNY0.72
4266-[(Z)-AMINO(IMINO)METHYL]-N-[3-
(CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE
A1OWI0.7
44CA2FBR0.71
R364-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE
A1LEE0.73
RXC(1S)-1-(3-chlorophenyl)-2-oxo-2-
[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
5-yl)amino]ethyl acetate
A,B,C,D3DEJ0.72
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID
L,P1MPA0.71
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID
L,P2MPA0.71
CYF5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-
ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-
DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID
I,L1DZH0.71
NBQ2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)TYROSINE
A1SII0.72
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.71
GFA2-[4-chloro-2-(phenylcarbonyl)phenoxy]-
N-phenylacetamide
A3DLE0.79
GWIN-({4-[({4-chloro-2-[(3-chloro-
5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-
3-methylphenyl}sulfonyl)propanamide
A3DOL0.71
B68(2S)-3-[4-(acetylamino)phenoxy]-
2-hydroxy-2-methyl-N-[4-nitro-3-
(trifluoromethyl)phenyl]propanamide
A3B680.7
RPF1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-
PHENYL}-6-(1,2,,3,4-TETRAHYDRO-
QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-
2-ONE
A,B2BKT0.71
GWJ2-{4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}-
N-(2-methyl-4-sulfamoylphenyl)acetamide
A3DOK0.71
3712-(3,4-DIHYDROXYPHENYL)-8-(1,1-
DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY-
6-METHYL-4H-CHROMEN-4-ONE
A2DUV0.7
RXDN-[3-(2-fluoroethoxy)phenyl]-N'-
(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
6-yl)butanediamide
A,B,C,D3DEK0.8
5CN5-CYANO-FURAN-2-CARBOXYLIC ACID [5-
HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-
1-YL)-PHENYL]-AMIDE
A2I1M0.71
5CN5-CYANO-FURAN-2-CARBOXYLIC ACID [5-
HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN-
1-YL)-PHENYL]-AMIDE
A2I0Y0.71
3FTA2BXV0.73
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX80.7
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX70.7
FHMS-3-(4-FLUOROPHENOXY)-2-HYDROXY-
2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AXA0.7
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER
A4UPJ0.71
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.72
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.71
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.71
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide
A2VIQ0.8
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
A2VIZ0.7
L1R4-(2-AMINOETHOXY)-3,5-DICHLORO-
N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE
A2VIP0.72
R6GRHODAMINE 6GB2V3L0.72
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.71
VG24-(2-aminoethoxy)-N-(3-chloro-5-
piperidin-1-ylphenyl)-3,5-dimethylbenzamide
A2VIV0.74
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate
A,B,C,D3DEI0.76
DRF(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-
10-YL)ETHOXY]PHENYL}PROPANOIC ACID
A1NYX0.75
033N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]-
1,1'-BIPHENYL-4-YL}SULFONYL)-L-
VALINE
A,B,C,D1ZTQ0.7
ILBA2FPT0.71
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.71
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID
A,B,C,D1G9V0.75