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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00127378

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DCH3-(7-DIAMINOMETHYL-NAPHTHALEN-2-
YL)-PROPIONIC ACID ETHYL ESTER
H1UVU0.71
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.78
959benzyl (2-oxopropyl)carbamateA3D620.76
FIL(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-
(AMINOCARBONYL)OXIME
A,B1XLZ0.72
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE
B1UUD0.73
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.73
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.71
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,B1MTR0.72
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.81
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.81
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.77
OHT4-HYDROXYTAMOXIFENA3ERT0.72
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.72
OHT4-HYDROXYTAMOXIFENA,B1VJB0.72
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.72
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.72
OHT4-HYDROXYTAMOXIFENA2GPU0.72
OHT4-HYDROXYTAMOXIFENA2P7Z0.72
OHT4-HYDROXYTAMOXIFENA,B2BJ40.72
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.72
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.77
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)
A2VJ80.7
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.78
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H9H0.73
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2HAL0.73
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2A4O0.73
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA,I2H6M0.73
BBLN-[(BENZYLOXY)CARBONYL]-L-ALANINEA2CXV0.73
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,B3BXS0.72
2NIN-{2-[(4'-CYANO-1,1'-BIPHENYL-4-
YL)OXY]ETHYL}-N'-HYDROXY-N-METHYLUREA
A1ZP50.72
PI1A,B1B6J0.7
MO9(1R)-2-[(CYANOMETHYL)AMINO]-1-({[2-
(DIFLUOROMETHOXY)BENZYL]SULFONYL}METHYL)-
2-OXOETHYL MORPHOLINE-4-CARBOXYLATE
A,B2G7Y0.71
DBA(2,6-DIMETHYL-PHENOXY)-ACETIC ACIDA,B1IDB0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.76
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.76
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.76
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.77
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.75
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.73
ROLROLIPRAMA,B,C,D1OYN0.75
ROLROLIPRAMA,B1XMY0.75
ROLROLIPRAMA,B,C,D1Q9M0.75
ROLROLIPRAMA,B1RO60.75
ROLROLIPRAMA,B1XN00.75
ROLROLIPRAMA,B1TBB0.75
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,B1B6M0.72
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.7
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3I0.71
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one
A,B1XM60.82
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3R0.71
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.77
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,B1B6K0.7
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.73
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.73