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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01771469

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.73
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.73
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.93
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.93
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.93
SACN-ACETYL-SERINEA1R4U0.93
SACN-ACETYL-SERINEA,B,C,D1WS30.93
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.93
SACN-ACETYL-SERINEA,B1EVU0.93
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.93
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.93
SACN-ACETYL-SERINEA1WRR0.93
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.93
SACN-ACETYL-SERINEA,B3CVQ0.93
SACN-ACETYL-SERINEA1B0B0.93
SACN-ACETYL-SERINEA1XT40.93
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.93
SACN-ACETYL-SERINEA2FXL0.93
SACN-ACETYL-SERINEA1R4S0.93
SACN-ACETYL-SERINEA,B,C,D1WS20.93
SACN-ACETYL-SERINEA,B,C,D2AUC0.93
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.93
SACN-ACETYL-SERINEA1R510.93
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.93
SACN-ACETYL-SERINEA,B,C,D1XXJ0.93
SACN-ACETYL-SERINET2QAC0.93
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.93
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.75
NLGN-ACETYL-L-GLUTAMATEA1OH90.7
NLGN-ACETYL-L-GLUTAMATEA1OHA0.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.7
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.7
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.7
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.7
NLGN-ACETYL-L-GLUTAMATEA3B8G0.7
NLGN-ACETYL-L-GLUTAMATEA1GS50.7
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.7
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.71
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.71
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
L4C(2E)-2-{[(2S)-2-(ACETYLAMINO)-2-
CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID
A,B2JE50.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.7
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.7
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.71
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.74
NXAN-CARBOXYALANINEA2IUX0.75
NXAN-CARBOXYALANINEA1O8A0.75
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.7
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.73
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.73
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.73
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.74
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.74
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.74
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.72
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.7
C6LN-hexanoyl-L-homoserineA3DHA0.72
C6LN-hexanoyl-L-homoserineA3DHB0.72
N10O-[(HEXYLAMINO)CARBONYL]-L-SERINEA,B,C,D,E,F,
G,H
2Q0S0.74
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.7
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.74
AN0N-ACETYL-L-NORVALINEA1ZQ80.74
C99{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-
1-YL}ACETIC ACID
A2HCG0.74
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.88
THCN-METHYLCARBONYLTHREONINEB2HR00.88
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.88
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.88
AYAN-ACETYLALANINEA1D0W0.8
AYAN-ACETYLALANINEA1AH40.8
AYAN-ACETYLALANINEA,B1VBP0.8
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.8
AYAN-ACETYLALANINEA,B,C,D1OUW0.8
AYAN-ACETYLALANINEA1AH30.8
AYAN-ACETYLALANINEA1EKO0.8
AYAN-ACETYLALANINEB,D,F,H2V4I0.8
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.8
AYAN-ACETYLALANINEA,B,C,D1J4U0.8
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID
A1DRT0.7
DSEN-METHYL-D-SERINEC1CWH0.82
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.71
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
C,D1OKX0.72
MAAN-METHYLALANINEA,B1A7Z0.71
MAAN-METHYLALANINEA,B2VSL0.71
MAAN-METHYLALANINEC1CWI0.71
MAAN-METHYLALANINEC,F,G,H3DW80.71
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.71
MAAN-METHYLALANINED1D5X0.71
MAAN-METHYLALANINEC1PYW0.71
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.71
MAAN-METHYLALANINEC,I2IE30.71
MAAN-METHYLALANINEC,F,X,Y2NPP0.71