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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02234862

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.7
AMEN-ACETYLMETHIONINEA,B2J4Y0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.73
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.74
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.7
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.7
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.73
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.72
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.7
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.7
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.7
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.73
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.72
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.73
AYAN-ACETYLALANINEA1D0W0.78
AYAN-ACETYLALANINEA1AH40.78
AYAN-ACETYLALANINEA,B1VBP0.78
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.78
AYAN-ACETYLALANINEA,B,C,D1OUW0.78
AYAN-ACETYLALANINEA1AH30.78
AYAN-ACETYLALANINEA1EKO0.78
AYAN-ACETYLALANINEB,D,F,H2V4I0.78
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.78
AYAN-ACETYLALANINEA,B,C,D1J4U0.78
NLGN-ACETYL-L-GLUTAMATEA1OH90.73
NLGN-ACETYL-L-GLUTAMATEA1OHA0.73
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.73
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.73
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.73
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.73
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.73
NLGN-ACETYL-L-GLUTAMATEA3B8G0.73
NLGN-ACETYL-L-GLUTAMATEA1GS50.73
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.73
NXAN-CARBOXYALANINEA2IUX0.73
NXAN-CARBOXYALANINEA1O8A0.73
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.89
THCN-METHYLCARBONYLTHREONINEB2HR00.89
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.89
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.89
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
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
C,D1OKX0.75
BG1O-[(2S)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-
L-serine
A2RG30.7
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.9
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.9
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.9
SACN-ACETYL-SERINEA1R4U0.9
SACN-ACETYL-SERINEA,B,C,D1WS30.9
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.9
SACN-ACETYL-SERINEA,B1EVU0.9
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.9
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.9
SACN-ACETYL-SERINEA1WRR0.9
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.9
SACN-ACETYL-SERINEA,B3CVQ0.9
SACN-ACETYL-SERINEA1B0B0.9
SACN-ACETYL-SERINEA1XT40.9
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.9
SACN-ACETYL-SERINEA2FXL0.9
SACN-ACETYL-SERINEA1R4S0.9
SACN-ACETYL-SERINEA,B,C,D1WS20.9
SACN-ACETYL-SERINEA,B,C,D2AUC0.9
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.9
SACN-ACETYL-SERINEA1R510.9
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.9
SACN-ACETYL-SERINEA,B,C,D1XXJ0.9
SACN-ACETYL-SERINET2QAC0.9
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.9
DSEN-METHYL-D-SERINEC1CWH0.79
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID
A1DRT0.73
N10O-[(HEXYLAMINO)CARBONYL]-L-SERINEA,B,C,D,E,F,
G,H
2Q0S0.75
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.74
C99{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-
1-YL}ACETIC ACID
A2HCG0.74
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.71
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.72
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.74
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.74
L4C(2E)-2-{[(2S)-2-(ACETYLAMINO)-2-
CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID
A,B2JE50.71
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.76
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.76
5FP5,5,5-TRIFLUORO-3-HYDROXY-4-[2-
(5,5,5-TRIFLUORO-3-HYDROXY-4-{3-
METHYL-2-[3-METHYL-2-(3-METHYL-
BUTYRYLAMINO)-BUTYRYLAMINO]-BUTYRYLAMINO}-
PENTANOYLAMINO)-PROPIONYLAMINO]-
PENTANOIC ACID
A,B1XE60.71
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.77
AN0N-ACETYL-L-NORVALINEA1ZQ80.77
C6LN-hexanoyl-L-homoserineA3DHA0.75
C6LN-hexanoyl-L-homoserineA3DHB0.75
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.74
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.73
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.75