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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02888583

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1831-((2-HYDROXYETHOXY)METHYL)-5-(3-
(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-
DIONE		A,B,C,D,E,F1U1F0.71
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.75
HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-
(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-
N-METHYLAMIDE		A1FBL0.76
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)		A2VJ80.75
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE		A,B1XN00.8
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE		C,O2V100.77
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE		A2B5J0.72
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine		A,B,C,D2ZEC0.73
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM		A1FJ50.71
ROLROLIPRAMA,B,C,D1OYN0.8
ROLROLIPRAMA,B1XMY0.8
ROLROLIPRAMA,B,C,D1Q9M0.8
ROLROLIPRAMA,B1RO60.8
ROLROLIPRAMA,B1XN00.8
ROLROLIPRAMA,B1TBB0.8
JT63-[(4'-cyanobiphenyl-4-yl)oxy]-
N-hydroxypropanamide		A2JT60.74
TRTFRAGMENT OF TRITON X-100A,E2I0U0.7
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.7
3MB3-METHOXYBENZAMIDEA3PAX0.76
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE		A,D1R200.71
FIR(2R,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE		A1X970.74
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.71
C27(6R)-2-amino-6-[2-(3'-methoxybiphenyl-
3-yl)ethyl]-3,6-dimethyl-5,6-dihydropyrimidin-
4(3H)-one		A2VA70.7
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWW0.73
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE		C,O2V120.73
TDZ(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-
TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-
2,4-DIONE		A,B2QM90.74
TDZ(5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-
TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-
2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-
2,4-DIONE		A2VN00.74
GGO(4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-
5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-
2-ONE		B2OQI0.71
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,B1MTR0.73
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE		A2PDW0.74
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE		A2AGT0.74
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE		A2PF80.74
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE		A2PFH0.74
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE		A1PWM0.74
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE		A2PEV0.74
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE		A2PDY0.74
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE		A,B1EF30.74
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE		A2PD90.74
FID(2S,4S)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE		A3H4G0.74
FIS(2S,4R)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE		A3BCJ0.74
FIS(2S,4R)-2-AMINOFORMYL-6-FLUORO-
SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-
2',5'-DIONE		A1X980.74
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE		A1W6J0.7
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE		A,B,C1GSZ0.7
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWV0.73
C41ALISKIRENC,O2V0Z0.75
SBISORBINILA1AH00.76
SBISORBINILA2PDK0.76
DRRA,B3BXR0.78
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.71
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid		A,B2ZNP0.73
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.84
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE		A1EVE0.7
AGGTIROFIBANA,B2VDM0.75
PI7N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-
OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-
1(16),13(17),14-TRIEN-11-YAMINO)-
2-HYDROXY-1-(4-HYDROXY-BENZYL) -
PROPYL]-3-METHYL-2-PROPIONYLAMINO-
BUTYRAMIDE		A,B1B6P0.74
TF3N-(2-AMINOETHYL)-2-{3-CHLORO-4-
[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE		A2BU70.79
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.71
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID		A,B1J1A0.77
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE		A1W510.71
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE		A2EW50.72
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.73
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid		A,B2ZNQ0.7
PI6[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-
2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-
1(16),13(17),14-TRIEN-11-YLAMINO)-
2-HYDROXY-PROPYL] -CARBAMIC ACID TERT-
BUTYL ESTER		A,B1B6M0.73
NN4(1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-
2-METHYLPROPANOYL]AMINO}ADAMANTANE-
1-CARBOXAMIDE		A,B,C,D,E,F,
G,H		2IRW0.7
T333,3'-DEIODO-THYROXINEA,B1THA0.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.79
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.79
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.79
PI41-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-
2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-
1(16),13(17),14-TRIEN-11-YL)-2-
HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-
BUTYLAMIDE		A,B1B6L0.74
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,B1D4K0.71
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1K730.7
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		3CC40.7
HQQ5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-
2,4,6-TRIONE		A,B,C1G4K0.83
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.7
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE		A2V130.72
C1NN-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-
[3-FLUORO-1-(4-HYDROXYBENZYL)-2-
OXOPROPYL]LEUCINAMIDE		A1ZCM0.7
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
DEOA,B1ROS0.71
PI5N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-
OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-
1(16),13(17),14- TRIEN-11-YLAMINO)-
2-HYDROXY-1-(4-HYDROXY-BENZYL)-
PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-
1-YL)-BUTYRAMIDE		A,B1B6K0.72
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.72
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.71
S44(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-
tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid		A2ZNN0.7
S44(2S)-2-(4-propoxy-3-{[({4-[(3S,5S,7S)-
tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}carbonyl)amino]methyl}benzyl)butanoic acid		A,B2ZNO0.7
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER		H1UVU0.73
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.75
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.75
DRS(9S,12S)-9-(1-methylethyl)-7,10-
dioxo-2-oxa-8,11-diazabicyclo[12.2.2]octadeca-
1(16),14,17-triene-12-carboxylic acid		A,B3BXS0.76
PI1A,B1B6J0.71
BBB1-((2-HYDROXYETHOXY)METHYL)-5-(3-
(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-
2,4(1H,3H)-DIONE		A,B,C,D,E,F1U1G0.72