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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02513779

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
YMA7,10,13-TRI(CARBOXYMETHYL)-5,15-
DIOXO-4,7,10,13,16-PENTAAZA-1,19-
DITHIANONADECANE
A1PY00.75
GDSOXIDIZED GLUTATHIONE DISULFIDEA,B1YKC0.72
GDSOXIDIZED GLUTATHIONE DISULFIDEA2GRT0.72
GDSOXIDIZED GLUTATHIONE DISULFIDEA3GX00.72
IPGN-ISOPROPYL GLYCINEC,D2SEM0.71
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.72
RGS4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDEA4GR10.73
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.71
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B,C,D,E,F,
G,H
1T6P0.77
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B1T6J0.77
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.75
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.75
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.75
SACN-ACETYL-SERINEA1R4U0.75
SACN-ACETYL-SERINEA,B,C,D1WS30.75
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.75
SACN-ACETYL-SERINEA,B1EVU0.75
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.75
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.75
SACN-ACETYL-SERINEA1WRR0.75
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.75
SACN-ACETYL-SERINEA,B3CVQ0.75
SACN-ACETYL-SERINEA1B0B0.75
SACN-ACETYL-SERINEA1XT40.75
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.75
SACN-ACETYL-SERINEA2FXL0.75
SACN-ACETYL-SERINEA1R4S0.75
SACN-ACETYL-SERINEA,B,C,D1WS20.75
SACN-ACETYL-SERINEA,B,C,D2AUC0.75
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.75
SACN-ACETYL-SERINEA1R510.75
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.75
SACN-ACETYL-SERINEA,B,C,D1XXJ0.75
SACN-ACETYL-SERINET2QAC0.75
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.75
NXAN-CARBOXYALANINEA2IUX0.77
NXAN-CARBOXYALANINEA1O8A0.77
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.72
THCN-METHYLCARBONYLTHREONINEB2HR00.72
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.72
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.72
C6LN-hexanoyl-L-homoserineA3DHA0.71
C6LN-hexanoyl-L-homoserineA3DHB0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.71
MAAN-METHYLALANINEA,B1A7Z0.73
MAAN-METHYLALANINEA,B2VSL0.73
MAAN-METHYLALANINEC1CWI0.73
MAAN-METHYLALANINEC,F,G,H3DW80.73
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.73
MAAN-METHYLALANINED1D5X0.73
MAAN-METHYLALANINEC1PYW0.73
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.73
MAAN-METHYLALANINEC,I2IE30.73
MAAN-METHYLALANINEC,F,X,Y2NPP0.73
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.74
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.74
TS5GLUTATHIONYLSPERMIDINEA1I5G0.71
CLH2-AMINO-6-[2-(2-OXO-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.72
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.74
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.74
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.74
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.75
AACACETYLAMINO-ACETIC ACIDA,B1NG30.71
AACACETYLAMINO-ACETIC ACIDA1QD80.71
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.74
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.74
O12N~5~-dodecanoyl-L-ornithineA,B,C,D,E,F,
G,H,I,J,K,L
3CAY0.7
O12N~5~-dodecanoyl-L-ornithineA,B,C,D,E,F,
G,H,I,J,K,L
3CBA0.7
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.71
AMEN-ACETYLMETHIONINEA,B2J4Y0.71
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.78
BAA(TERT-BUTYLOXYCARBONYL)-ALANYL-
ALANYL-AMINE
A1ELG0.75
AYAN-ACETYLALANINEA1D0W0.82
AYAN-ACETYLALANINEA1AH40.82
AYAN-ACETYLALANINEA,B1VBP0.82
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.82
AYAN-ACETYLALANINEA,B,C,D1OUW0.82
AYAN-ACETYLALANINEA1AH30.82
AYAN-ACETYLALANINEA1EKO0.82
AYAN-ACETYLALANINEB,D,F,H2V4I0.82
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.82
AYAN-ACETYLALANINEA,B,C,D1J4U0.82
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.75
AN0N-ACETYL-L-NORVALINEA1ZQ80.75
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.72
140N-PALMITOYLGLYCINEA,B1JPZ0.72
140N-PALMITOYLGLYCINEA,B1ZOA0.72
140N-PALMITOYLGLYCINEA,B3CBD0.72
NLGN-ACETYL-L-GLUTAMATEA1OH90.71
NLGN-ACETYL-L-GLUTAMATEA1OHA0.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.71
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.71
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.71
NLGN-ACETYL-L-GLUTAMATEA3B8G0.71
NLGN-ACETYL-L-GLUTAMATEA1GS50.71
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.71
ALYN(6)-ACETYLLYSINEA,B2B4D0.72
ALYN(6)-ACETYLLYSINEA,B2OD90.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.72
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.72
ALYN(6)-ACETYLLYSINEA,B2B5G0.72
ALYN(6)-ACETYLLYSINEA2GIV0.72
ALYN(6)-ACETYLLYSINEB2RNY0.72
ALYN(6)-ACETYLLYSINEA1JSP0.72
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.72
ALYN(6)-ACETYLLYSINEA,D3D4B0.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.72
ALYN(6)-ACETYLLYSINEA,B2R0Y0.72
ALYN(6)-ACETYLLYSINEA3CZ70.72
ALYN(6)-ACETYLLYSINEA1JM40.72
ALYN(6)-ACETYLLYSINEA,B2H4H0.72
ALYN(6)-ACETYLLYSINEA,B2J6V0.72
ALYN(6)-ACETYLLYSINEA,B2R100.72
ALYN(6)-ACETYLLYSINEA,B1YC50.72
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.72
ALYN(6)-ACETYLLYSINEA,B2H2G0.72
ALYN(6)-ACETYLLYSINEA,D2H4F0.72
ALYN(6)-ACETYLLYSINEA2OU20.72
ALYN(6)-ACETYLLYSINEA,B1S5P0.72
ALYN(6)-ACETYLLYSINEB2RNW0.72
ALYN(6)-ACETYLLYSINEA3D350.72
ALYN(6)-ACETYLLYSINEA,B2OD20.72
ALYN(6)-ACETYLLYSINEA2ZFN0.72
ALYN(6)-ACETYLLYSINEC,D2C1J0.72
ALYN(6)-ACETYLLYSINEA,B2QQG0.72
ALYN(6)-ACETYLLYSINEB2RNX0.72
ALYN(6)-ACETYLLYSINEA,B1MA30.72
ALYN(6)-ACETYLLYSINEA,B2H2H0.72
ALYN(6)-ACETYLLYSINEA2I2Z0.72
ALYN(6)-ACETYLLYSINEA,B2OD70.72
ALYN(6)-ACETYLLYSINEP1E6I0.72
ALYN(6)-ACETYLLYSINEA,B1SZC0.72
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.72
ALYN(6)-ACETYLLYSINEA,B2H2D0.72
ALYN(6)-ACETYLLYSINEA,B1Q1A0.72
ALYN(6)-ACETYLLYSINEA,B1SZD0.72
ALYN(6)-ACETYLLYSINEQ,R2E3K0.72
ALYN(6)-ACETYLLYSINEA2OZU0.72
ALYN(6)-ACETYLLYSINEA,B2QQF0.72
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.72
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.71
NSKN-SUCCINYL LYSINEA2P8B0.71
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.77
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.73
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W050.71
W05DELTA-(L-ALPHA-AMINOADIPOYL)-L-
CYSTEINYL-D-ALANINE
A1W060.71
VB1N^6^-[(1R)-2-{[(1S)-1-carboxypropyl]amino}-
2-oxo-1-(sulfanylmethyl)ethyl]-
6-oxo-L-lysine
A2VBP0.71
CLG2-AMINO-6-[2-(2-AMINOOXY-ACETYLAMINO)-
ACETYLAMINO]-HEXANOIC ACID
A,B1K090.74
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.76
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.72
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.72
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.76