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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02863921

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.73
XDLXYLOSE-DERIVED ISOFAGOMINE LACTAMA1OD80.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.7
75VN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCYL-L-ALANINE
A2DCA0.71
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.75
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.72
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.72
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.72
SACN-ACETYL-SERINEA1R4U0.72
SACN-ACETYL-SERINEA,B,C,D1WS30.72
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.72
SACN-ACETYL-SERINEA,B1EVU0.72
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.72
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.72
SACN-ACETYL-SERINEA1WRR0.72
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.72
SACN-ACETYL-SERINEA,B3CVQ0.72
SACN-ACETYL-SERINEA1B0B0.72
SACN-ACETYL-SERINEA1XT40.72
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.72
SACN-ACETYL-SERINEA2FXL0.72
SACN-ACETYL-SERINEA1R4S0.72
SACN-ACETYL-SERINEA,B,C,D1WS20.72
SACN-ACETYL-SERINEA,B,C,D2AUC0.72
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.72
SACN-ACETYL-SERINEA1R510.72
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.72
SACN-ACETYL-SERINEA,B,C,D1XXJ0.72
SACN-ACETYL-SERINET2QAC0.72
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.72
PAUPANTOTHENOIC ACIDA,B2F9W0.81
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.81
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.81
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.81
LAA(3R)-3-hydroxy-L-alpha-asparagineA1CCF0.77
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.76
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.76
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.76
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.79
THCN-METHYLCARBONYLTHREONINEB2HR00.79
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.79
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.79
UDC(2S,3S)-2-((2S,3R,4S,5R)-5-ETHANAMIDO-
3-HYDROXY-2-(HYDROXYMETHYL)TETRAHYDRO-
2H-PYRAN-4-YLOXY)-3,4-DIHYDROXY-
2-METHYLBUTANOIC ACID
A,B,C,D2Z2C0.7
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA1
BHDBETA-HYDROXYASPARTIC ACIDA1WHE0.71
BHDBETA-HYDROXYASPARTIC ACIDA2DDE0.71
BHDBETA-HYDROXYASPARTIC ACIDC,L1XKA0.71
BHDBETA-HYDROXYASPARTIC ACIDA1ERM0.71
BHDBETA-HYDROXYASPARTIC ACIDL,P1AUT0.71
BHDBETA-HYDROXYASPARTIC ACIDA1WHF0.71
BHDBETA-HYDROXYASPARTIC ACIDL1PFX0.71
BHDBETA-HYDROXYASPARTIC ACIDA,B,C,D1XKB0.71
PAZN-[(2R)-2-hydroxy-3,3-dimethyl-
4-(phosphonooxy)butanoyl]-beta-
alanine
A,B,C,D,E,F3BF30.74
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE
A,B1UZ10.71
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE
A2V380.71
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE
A,B2VJX0.71
IFL(3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
2-ONE
A1UZ40.71
AHBBETA-HYDROXYASPARAGINEA1DSR0.74
AHBBETA-HYDROXYASPARAGINEA,G1NT00.74
AHBBETA-HYDROXYASPARAGINEA2ZGD0.74
AHBBETA-HYDROXYASPARAGINEA,B2QC90.74
AHBBETA-HYDROXYASPARAGINEA2OG70.74
042N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE
A2DC70.7
42B4-AMINO-2-HYDROXYBUTANOIC ACIDB1O9M0.71
59AN-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-
2-YL]CARBONYL}-L-ISOLEUCINE
A2DC80.73