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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02676969

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PEM2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-
2-METHYLPROPIONIC ACID		A,B1IWH0.71
4CR(1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)-
N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN-
1-AMINIUM		A,B2C650.72
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.83
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid		A,B2ZNP0.72
NOQ(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-
METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE		A2F7D0.71
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one		A,B1XM60.72
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.83
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE		A2EW60.72
3AC(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL-
2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE		A2B5J0.72
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLM0.8
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLF0.8
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLE0.8
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.7
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE		C,O2V120.72
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE		C,O2V100.7
HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-
(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-
N-METHYLAMIDE		A1FBL0.79
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.7
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.7
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.74
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM		A1FJ50.71
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE		B1UUD0.74
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.72
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,B1D4K0.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.77
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.77
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.77
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine		A,B,C,D2ZEC0.75
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)		A2VJ80.74
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.75
9971-[3,3-DIMETHYL-2-(2-METHYLAMINO-
PROPIONYLAMINO)-BUTYRYL]-4-PHENOXY-
PYRROLIDINE-2-CARBOXYLIC ACID(1,2,3,4-
TETRAHYDRO-NAPHTHALEN-1-YL)-AMIDE		A1TFT0.71
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.78
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWV0.75
F1IN-[1-(2,6-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide		A2ZJI0.79
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,B1B6L0.71
DRRA,B3BXR0.77
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE		A,B,C,D,E,F,
G,H		2ACL0.71
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWW0.75
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.75
F1LN-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-
4-yl]-4-sulfanylbutanamide		A2ZJL0.71
AEF4-(2-aminoethyl)phenolA3BRA0.71
BEK2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDEA1KJR0.71
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid		A,B2RJS0.76
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,B1B6P0.71
3MB3-METHOXYBENZAMIDEA3PAX0.77
P124-[AMINO(IMINO)METHYL]-1-[2-(3-
AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-
1-IUM		B1UUI0.72
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.71
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H		2G0B0.72
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE		A1W510.71
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine		A2VIN0.71
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE		A,B1PL20.75
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE		A,B1PL10.75
TF3N-(2-AMINOETHYL)-2-{3-CHLORO-4-
[(4-ISOPROPYLBENZYL)OXY]PHENYL} ACETAMIDE		A2BU70.71
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE		A2EW50.78
959benzyl (2-oxopropyl)carbamateA3D620.72
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.72
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.72
CMQN~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-
2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-
L-LEUCINAMIDE		A,B,C,D,E,F,
G,H,I,J,K,L,
M,N		2FZS0.71
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE		A2V130.73
LOCN-[(7S)-1,2,3,10-tetramethoxy-9-
oxo-6,7-dihydro-5H-benzo[d]heptalen-
7-yl]ethanamide		A,B,C,D3E220.72
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.71
DPDA,B1QIW0.73
DPDA1QIV0.73
MXX5,8-dimethoxy-1,4-dimethylquinolin-
2(1H)-one		A,B3GAM0.7
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE		A,B1X6W0.74
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.86
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID		A,B1J1A0.74
3XH3-Hydroxyhippuric acidA3E9K0.71
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.76
C1NN-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-
[3-FLUORO-1-(4-HYDROXYBENZYL)-2-
OXOPROPYL]LEUCINAMIDE		A1ZCM0.7
K214-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]-
7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4-
BENZOTHIAZEPINE		A,B1HAK0.7
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid		A,B2ZNQ0.74
ROLROLIPRAMA,B,C,D1OYN0.77
ROLROLIPRAMA,B1XMY0.77
ROLROLIPRAMA,B,C,D1Q9M0.77
ROLROLIPRAMA,B1RO60.77
ROLROLIPRAMA,B1XN00.77
ROLROLIPRAMA,B1TBB0.77
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.74
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE		C1A8G0.77
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
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z		1K730.73
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z		3CC40.73
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.82
TYCL-TYROSINAMIDEA2BF90.7
TYCL-TYROSINAMIDEA2OCI0.7
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE		A,B1XN00.77