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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02255592

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A1TH60.72
OIN(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE
A2ARM0.72
SDK1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]-
L-LEUCYL]AMINO]-2-PROPANONE
A1AU00.7
SS2(1R)-1-PHENYLETHANOLA1ZK00.71
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.71
SS2(1R)-1-PHENYLETHANOLA1ZJY0.71
SEM3-AMINO-4-OXYBENZYL-2-BUTANONEA,B1THE0.76
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.72
ZPRN-BENZYLOXYCARBONYL-L-PROLYL-L-
PROLINAL
A1QFS0.72
ZPRN-BENZYLOXYCARBONYL-L-PROLYL-L-
PROLINAL
A1H2Y0.72
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.77
PHQFORMIC ACID BENZYL ESTERA1KJO0.77
PHQFORMIC ACID BENZYL ESTERI2CDR0.77
PHQFORMIC ACID BENZYL ESTERI2C1E0.77
PHQFORMIC ACID BENZYL ESTERI5PAD0.77
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.77
PHQFORMIC ACID BENZYL ESTERA2CNO0.77
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.77
PHQFORMIC ACID BENZYL ESTERI2AZ90.77
PHQFORMIC ACID BENZYL ESTERI2C2K0.77
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.77
PHQFORMIC ACID BENZYL ESTERA1KJP0.77
PHQFORMIC ACID BENZYL ESTERI2C2M0.77
PHQFORMIC ACID BENZYL ESTERI2AZB0.77
PHQFORMIC ACID BENZYL ESTERA9HVP0.77
PHQFORMIC ACID BENZYL ESTERA1ESB0.77
PHQFORMIC ACID BENZYL ESTERE,F1DY80.77
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.77
PHQFORMIC ACID BENZYL ESTERI1GEC0.77
PHQFORMIC ACID BENZYL ESTERA1KS70.77
PHQFORMIC ACID BENZYL ESTERC1A8G0.77
PHQFORMIC ACID BENZYL ESTERA1KKK0.77
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.77
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.77
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.77
PHQFORMIC ACID BENZYL ESTERA1KTO0.77
PHQFORMIC ACID BENZYL ESTERA,C1TG10.77
PHQFORMIC ACID BENZYL ESTERI2AZ80.77
PHQFORMIC ACID BENZYL ESTERA,B2G580.77
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.77
PHQFORMIC ACID BENZYL ESTERI2CJY0.77
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.77
PHQFORMIC ACID BENZYL ESTERA1KR60.77
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.77
PHQFORMIC ACID BENZYL ESTERA1KRO0.77
PHQFORMIC ACID BENZYL ESTERI2CNN0.77
PHQFORMIC ACID BENZYL ESTERI2C2O0.77
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.77
PHQFORMIC ACID BENZYL ESTERA,B1THE0.77
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.77
PHQFORMIC ACID BENZYL ESTERE,I5EST0.77
PHQFORMIC ACID BENZYL ESTERI2CNK0.77
PHQFORMIC ACID BENZYL ESTERA1KL60.77
PHQFORMIC ACID BENZYL ESTERI6PAD0.77
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.77
BCG3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-
2-CARBOXYLIC ACID
H1QYG0.71
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3F2R0.72
HC6(2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-
hydroxy-4,4-dimethylmorpholin-4-
ium)
A,B3G150.72
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.71
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.71
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.72
959benzyl (2-oxopropyl)carbamateA3D620.8
FOS[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATEA1BLH0.72
FOS[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATEA1AXB0.72
BZMBENZOIC ACID PHENYLMETHYLESTERA,B1DZM0.72
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.7
1ZN(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy-
2,6,8-trimethyl-10-phenyldeca-4,6-
dienoic acid
C,F,M,N2IAE0.73
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
MX4{1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACIDI2C2M0.73
ZFB(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-
2-OXO-4-PHENYLBUTANE-1-DIAZONIUM
A,B,C,D1PVJ0.73
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
A,B,I,J1NH00.71
KI23-BENZYLOXYCARBONYLAMINO-2-HYDROXY-
4-PHENYL-BUTYRIC ACID
I1U8G0.71
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.71
FC1THIOCOUMARINA2BHJ0.77
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.73
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.7
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.83
SS11-PHENYLETHANOLH1UM50.71
CT1(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-
1-FORMYLPENTYL]CARBAMATE
A2AUX0.71
HTQHOMOTROPINEA,B,C2DQZ0.75
HTQHOMOTROPINEA,B,C,D,E,F1MX50.75
SB31,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL-
1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE
A1FKG0.76
MFD(2S,3S,8S,9S)-3-AMINO-9-METHOXY-
2,6,8-TRIMETHYL-10-PHENYLDECA-4,6-
DIENOIC ACID
A1AY30.73
MY2{1-[(3S)-4-(BENZYLOXY)-3-HYDROXY-
4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
I2CNK0.71
BS1(3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-
5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE
A,F2W8F0.77
NBLN2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-
1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE
A1YK70.71
COCCOCAINEA,C1I7Z0.73
COCCOCAINEH1Q720.73
COCCOCAINEL2AJV0.73
COCCOCAINEA,B,C,D,E2PGZ0.73
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBY0.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H4Y0.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBR0.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H4W0.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H480.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H540.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2H510.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBZ0.71
F3G3-[2-(2-BENZYLOXYCARBONYLAMINO-
3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]-
4-OXO-PENTANOIC ACID
A2HBQ0.71
ZRABENZOYL-ARGININE-ALANINE-METHYL KETONEA2AIM0.71
RSOR-STYRENE OXIDEA,B1PWZ0.76
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.76
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.7