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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02245966

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LZP4,4'-piperazine-1,4-diylbis{1-[3-
(benzyloxy)phenyl]-4-oxobutane-
1,3-dione}		A3EAX0.71
3XH3-Hydroxyhippuric acidA3E9K0.73
YE65-(2-chlorophenyl)furan-2-carbohydrazideA2P9A0.71
YE65-(2-chlorophenyl)furan-2-carbohydrazideA2P990.71
14AN-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-
3-CHLORO-N-CYCLOPENTYLBENZAMIDE		H,I1T4V0.76
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.72
AI73-(heptyloxy)benzoic acidA,B2O3Z0.82
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.75
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine		A2VIN0.7
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.72
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.72
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE		A2B5J0.72
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE		B166D0.72
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid		A,B2ZNQ0.71
BGF2,5-BIS(4-GUANYLPHENYL)FURANA227D0.75
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE		A1W510.72
FLN2-PHENYL-4H-CHROMEN-4-ONEA2G0L0.73
ANN4-METHOXYBENZOIC ACIDA2B960.73
ANN4-METHOXYBENZOIC ACIDA2QUE0.73
ANN4-METHOXYBENZOIC ACIDA1SV30.73
ANN4-METHOXYBENZOIC ACIDA1O2E0.73
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.73
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A2D550.7
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A1DSC0.7
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B1A7Z0.7
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B1OVF0.7
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		C,D1MNV0.7
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B,C,D1I3W0.7
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B,C1A7Y0.7
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B173D0.7
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B1FJA0.7
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A1DSD0.7
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		B1L1V0.7
PXZ2-AMINO-1,9-DICARBONYL-4,6-DIMETHYL-
10-DEHYDRO-PHENOXAZIN-3-ONE		A,B,C1QFI0.7
PH7(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-
2-PROPENOIC ACID		A1YVF0.71
SHASALICYLHYDROXAMIC ACIDX1V0H0.73
SHASALICYLHYDROXAMIC ACIDA2QPK0.73
SHASALICYLHYDROXAMIC ACIDA3FNL0.73
SHASALICYLHYDROXAMIC ACIDA3GCJ0.73
SHASALICYLHYDROXAMIC ACIDA1CK60.73
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE		A,B1XN00.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.75
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.75
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.75
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.76
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid		A,B2ZNP0.74
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE		C,O2V120.75
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.76
CS5N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE		A,B2QK50.7
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE		A1EVE0.72
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.7
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.73
SBISORBINILA1AH00.71
SBISORBINILA2PDK0.71
ROLROLIPRAMA,B,C,D1OYN0.71
ROLROLIPRAMA,B1XMY0.71
ROLROLIPRAMA,B,C,D1Q9M0.71
ROLROLIPRAMA,B1RO60.71
ROLROLIPRAMA,B1XN00.71
ROLROLIPRAMA,B1TBB0.71
R224-(3,5-DIMETHYLPHENOXY)-5-(FURAN-
2-YLMETHYLSULFANYLMETHYL)-3-IODO-
6-METHYLPYRIDIN-2(1H)-ONE		A,B2BE20.73
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE		A1W6J0.72
R71[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)-
2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE		A,B,C1GSZ0.72
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.7
PEM2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-
2-METHYLPROPIONIC ACID		A,B1IWH0.7
1831-((2-HYDROXYETHOXY)METHYL)-5-(3-
(BENZYLOXY)BENZYL)PYRIMIDINE-2,4(1H,3H)-
DIONE		A,B,C,D,E,F1U1F0.7
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE		A2V130.74
SB82-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDEA2AIA0.75
H24(6S)-2-amino-6-(3'-methoxybiphenyl-
3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-
4(3H)-one		A2VA60.7
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE		A,B1X6W0.73
D242,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-
5-YLAMINO-1-AMINOMETHYL]-PHEN-1-
YL]FURAN		B1EEL0.7
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.72
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.72
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.72
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.72
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.78
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.78
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLM0.73
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLF0.73
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLE0.73
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
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.74
AIN2-(ACETYLOXY)BENZOIC ACIDA3GCL0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2QQT0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1TGM0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA2G5J0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA1OXR0.73
AIN2-(ACETYLOXY)BENZOIC ACIDA3HWY0.73
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.72
BBB1-((2-HYDROXYETHOXY)METHYL)-5-(3-
(BENZYLOXY)BENZYL)-6-HYDROXYPYRIMIDINE-
2,4(1H,3H)-DIONE		A,B,C,D,E,F1U1G0.7
BPF2,5-BIS{[4-(N-ETHYLAMIDINO)]PHENYL}FURANA,B360D0.72
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid		A,B2RJS0.72
DBON-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE-
10-CARBOXAMIDE		A,B,C,D2EWY0.71
DEOA,B1ROS0.71
3MB3-METHOXYBENZAMIDEA3PAX0.96
D192,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURANA289D0.7
HQQ5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-
2,4,6-TRIONE		A,B,C1G4K0.71
BZFBENZOFURANA182L0.73
IN31-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-
5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE		A1AYW0.73
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.74
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.74
BEK2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDEA1KJR0.78
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.7
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.78
R88(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT-
2-ENYL}OXY)PHENYL]METHANONE		A,B,C1H360.7
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.83
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.71
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine		A,B,C,D2ZEC0.71
AI1N-BENZYL-3-(ALPHA-D-GALACTOS-1-
YL)-BENZAMIDE		D,E,F,G,H,L,
M,N,O,P		1FD70.75
HWGN-(TERT-BUTYL)-3,5-DIMETHYL-N'-
[(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN-
6-YL)CARBONYL]BENZOHYDRAZIDE		A,D1R200.75