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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02992483

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.78
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.78
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.78
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
A,B2ZNP0.72
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE
A1W510.7
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.82
HQQ5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-
2,4,6-TRIONE
A,B,C1G4K0.75
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE
A,B1EH40.74
DRRA,B3BXR0.73
R224-(3,5-DIMETHYLPHENOXY)-5-(FURAN-
2-YLMETHYLSULFANYLMETHYL)-3-IODO-
6-METHYLPYRIDIN-2(1H)-ONE
A,B2BE20.7
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.89
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.78
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLM0.76
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLF0.76
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLE0.76
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
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
ANN4-METHOXYBENZOIC ACIDA2B960.72
ANN4-METHOXYBENZOIC ACIDA2QUE0.72
ANN4-METHOXYBENZOIC ACIDA1SV30.72
ANN4-METHOXYBENZOIC ACIDA1O2E0.72
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.72
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE
A2B5J0.73
TYCL-TYROSINAMIDEA2BF90.71
TYCL-TYROSINAMIDEA2OCI0.71
PEM2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-
2-METHYLPROPIONIC ACID
A,B1IWH0.7
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.73
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.75
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.71
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
A,B1J1A0.72
BEK2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDEA1KJR0.74
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE
A,B,C,D,E,F,
G,H
2ACL0.75
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.73
ROLROLIPRAMA,B,C,D1OYN0.74
ROLROLIPRAMA,B1XMY0.74
ROLROLIPRAMA,B,C,D1Q9M0.74
ROLROLIPRAMA,B1RO60.74
ROLROLIPRAMA,B1XN00.74
ROLROLIPRAMA,B1TBB0.74
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.75
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.73
TF3N-(2-AMINOETHYL)-2-{3-CHLORO-4-
[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE
A2BU70.71
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.72
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.72
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.71
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.7
HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-
(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-
N-METHYLAMIDE
A1FBL0.77
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.74
3MB3-METHOXYBENZAMIDEA3PAX0.84
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)
A2VJ80.71
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.74
SBISORBINILA1AH00.72
SBISORBINILA2PDK0.72
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.71
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.75
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.78
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE
A2V130.7