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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02028806

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SIC(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-
1-yl]-3-sulfanylpropanoic acid
A,B3DIP0.71
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.8
AN0N-ACETYL-L-NORVALINEA1ZQ80.8
CYKN-hexanoyl-L-homocysteineA3DHC0.74
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C1EKX0.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q950.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1TTH0.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1ACM0.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1D090.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1XJW0.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA1ML40.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDB,D1I5O0.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1F1B0.72
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D8ATC0.72
AA1[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACIDI2C1E0.71
AA1[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACIDI2C2K0.71
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.7
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.74
AFAN-[7-METHYL-OCT-2,4-DIENOYL]ASPARAGINEA1DSR0.73
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.7
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.72
THCN-METHYLCARBONYLTHREONINEB2HR00.72
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.72
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.72
NXAN-CARBOXYALANINEA2IUX0.7
NXAN-CARBOXYALANINEA1O8A0.7
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.72
DSGD-ASPARAGINEA,B2Q330.79
DSGD-ASPARAGINEA2IH00.79
DSGD-ASPARAGINEA2JUE0.79
DSGD-ASPARAGINEA1A850.79
DSGD-ASPARAGINEA1T5N0.79
DSGD-ASPARAGINEA2IGZ0.79
DSGD-ASPARAGINEA,B,C,D3BOG0.79
DSGD-ASPARAGINEA1T5M0.79
DSGD-ASPARAGINEA,B1HXB0.79
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
NLGN-ACETYL-L-GLUTAMATEA1OH90.78
NLGN-ACETYL-L-GLUTAMATEA1OHA0.78
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.78
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.78
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.78
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.78
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.78
NLGN-ACETYL-L-GLUTAMATEA3B8G0.78
NLGN-ACETYL-L-GLUTAMATEA1GS50.78
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.78
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.78
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.72
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA,B,C,D1YNI0.73
SUGN~2~-(3-CARBOXYPROPANOYL)-L-ARGININEA2P8C0.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.76
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.76
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.74
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.73
AMEN-ACETYLMETHIONINEA,B2J4Y0.73
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B2J9P0.75
REZ(2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-
7-OXOHEPTANOIC ACID
A,B,C,D2VGK0.75
NC44-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACIDA1ZD30.7
RGS4N-MALONYL-CYSTEINYL-2,4-DIAMINOBUTYRATE DISULFIDEA4GR10.72
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
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.77
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.77
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.77
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.77
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.77
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.77
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.77
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.77
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.77
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.77
MVAN-METHYLVALINEA209D0.7
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.7
MVAN-METHYLVALINEC1CWH0.7
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.7
MVAN-METHYLVALINEA1DSD0.7
MVAN-METHYLVALINEB1L1V0.7
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.7
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.7
MVAN-METHYLVALINEC1CWO0.7
MVAN-METHYLVALINEC1CWL0.7
MVAN-METHYLVALINEB1MIK0.7
MVAN-METHYLVALINEA1CSA0.7
MVAN-METHYLVALINEC1CWM0.7
MVAN-METHYLVALINEA1PFE0.7
MVAN-METHYLVALINEA,B,D,E,F,H1M630.7
MVAN-METHYLVALINEC1CWC0.7
MVAN-METHYLVALINEB,D,F,H2RMC0.7
MVAN-METHYLVALINEC1CWK0.7
MVAN-METHYLVALINEC1CYN0.7
MVAN-METHYLVALINEC,D1MNV0.7
MVAN-METHYLVALINEC,D2OJU0.7
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.7
MVAN-METHYLVALINEA1CYB0.7
MVAN-METHYLVALINED1QNG0.7
MVAN-METHYLVALINEA,C,E,G2ADW0.7
MVAN-METHYLVALINEC1CWB0.7
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.7
MVAN-METHYLVALINEA,B1OVF0.7
MVAN-METHYLVALINEA,B185D0.7
MVAN-METHYLVALINEA1XVK0.7
MVAN-METHYLVALINEA,C1XVR0.7
MVAN-METHYLVALINEA,B173D0.7
MVAN-METHYLVALINEA,B1FJA0.7
MVAN-METHYLVALINEB3CYS0.7
MVAN-METHYLVALINEA,B,C1A7Y0.7
MVAN-METHYLVALINEA,B,C1L5G0.7
MVAN-METHYLVALINEA,B,C,D1I3W0.7
MVAN-METHYLVALINEA316D0.7
MVAN-METHYLVALINEA1XVN0.7
MVAN-METHYLVALINEC1IKF0.7
MVAN-METHYLVALINEA,M,N2Z6W0.7
MVAN-METHYLVALINEA,B,C1QFI0.7
MVAN-METHYLVALINEA,B3GO30.7
MVAN-METHYLVALINEC1CWA0.7
MVAN-METHYLVALINEC1CWF0.7
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.7
MVAN-METHYLVALINED,E,F1XQ70.7
MVAN-METHYLVALINEA1CYA0.7
MVAN-METHYLVALINEA,B,D1MF80.7
MVAN-METHYLVALINEA,B1A7Z0.7
MVAN-METHYLVALINEA1DSC0.7
MVAN-METHYLVALINET,U,V2POY0.7
MVAN-METHYLVALINEA2D550.7
MVAN-METHYLVALINEC1BCK0.7
MVAN-METHYLVALINEC1CWI0.7
MVAN-METHYLVALINEC,D1QNH0.7
MVAN-METHYLVALINEA1VS20.7
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.79
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.88
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.75
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.86
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.86
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.86
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.86
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.86
MEQN5-METHYLGLUTAMINEA,B1NV80.7
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.83
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B,C,D,E,F,
G,H
1T6P0.71
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B1T6J0.71
AAGN-ALPHA-L-ACETYL-ARGININEA1DRY0.7
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.78
ALYN(6)-ACETYLLYSINEA,B2B4D0.77
ALYN(6)-ACETYLLYSINEA,B2OD90.77
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.77
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.77
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.77
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.77
ALYN(6)-ACETYLLYSINEA,B2B5G0.77
ALYN(6)-ACETYLLYSINEA2GIV0.77
ALYN(6)-ACETYLLYSINEB2RNY0.77
ALYN(6)-ACETYLLYSINEA1JSP0.77
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.77
ALYN(6)-ACETYLLYSINEA,D3D4B0.77
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.77
ALYN(6)-ACETYLLYSINEA,B2R0Y0.77
ALYN(6)-ACETYLLYSINEA3CZ70.77
ALYN(6)-ACETYLLYSINEA1JM40.77
ALYN(6)-ACETYLLYSINEA,B2H4H0.77
ALYN(6)-ACETYLLYSINEA,B2J6V0.77
ALYN(6)-ACETYLLYSINEA,B2R100.77
ALYN(6)-ACETYLLYSINEA,B1YC50.77
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.77
ALYN(6)-ACETYLLYSINEA,B2H2G0.77
ALYN(6)-ACETYLLYSINEA,D2H4F0.77
ALYN(6)-ACETYLLYSINEA2OU20.77
ALYN(6)-ACETYLLYSINEA,B1S5P0.77
ALYN(6)-ACETYLLYSINEB2RNW0.77
ALYN(6)-ACETYLLYSINEA3D350.77
ALYN(6)-ACETYLLYSINEA,B2OD20.77
ALYN(6)-ACETYLLYSINEA2ZFN0.77
ALYN(6)-ACETYLLYSINEC,D2C1J0.77
ALYN(6)-ACETYLLYSINEA,B2QQG0.77
ALYN(6)-ACETYLLYSINEB2RNX0.77
ALYN(6)-ACETYLLYSINEA,B1MA30.77
ALYN(6)-ACETYLLYSINEA,B2H2H0.77
ALYN(6)-ACETYLLYSINEA2I2Z0.77
ALYN(6)-ACETYLLYSINEA,B2OD70.77
ALYN(6)-ACETYLLYSINEP1E6I0.77
ALYN(6)-ACETYLLYSINEA,B1SZC0.77
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L
3EWF0.77
ALYN(6)-ACETYLLYSINEA,B2H2D0.77
ALYN(6)-ACETYLLYSINEA,B1Q1A0.77
ALYN(6)-ACETYLLYSINEA,B1SZD0.77
ALYN(6)-ACETYLLYSINEQ,R2E3K0.77
ALYN(6)-ACETYLLYSINEA2OZU0.77
ALYN(6)-ACETYLLYSINEA,B2QQF0.77
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.77
NSKN-SUCCINYL LYSINEA2P8B0.83
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.72
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.73
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.85
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.72
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.87
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.87
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.87
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.87
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.87
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.87
SHRN-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACIDA,B,C,D,E,F,
G,H
1E5Q0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.76
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.76
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.81
C6LN-hexanoyl-L-homoserineA3DHA0.75
C6LN-hexanoyl-L-homoserineA3DHB0.75
DAB2,4-DIAMINOBUTYRIC ACIDA,B,C,D1J730.71
DAB2,4-DIAMINOBUTYRIC ACIDA1JDK0.71
DAB2,4-DIAMINOBUTYRIC ACIDA,B,C,D3D3S0.71
DAB2,4-DIAMINOBUTYRIC ACIDA,B3DS90.71
DAB2,4-DIAMINOBUTYRIC ACIDA1J9V0.71
DAB2,4-DIAMINOBUTYRIC ACIDA2PM10.71
DAB2,4-DIAMINOBUTYRIC ACIDA1JAR0.71
DAB2,4-DIAMINOBUTYRIC ACIDA,B1B4H0.71
LDHN~6~-ETHYL-L-LYSINEA,K2IOF0.71
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.9
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1GH00.9
MENN-METHYL ASPARAGINEA,B,C,D1XF60.9
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.9
MENN-METHYL ASPARAGINEA,B1I7Y0.9
MENN-METHYL ASPARAGINEA,B3BRP0.9
MENN-METHYL ASPARAGINEA,B1JBO0.9
MENN-METHYL ASPARAGINEA,B1ALL0.9
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.9
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1HA70.9
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.9
MENN-METHYL ASPARAGINEA,B1KTP0.9
MENN-METHYL ASPARAGINEA,B1PHN0.9
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.9
MENN-METHYL ASPARAGINEA,B,C,D1XG00.9
MENN-METHYL ASPARAGINEA,B2VJT0.9
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.9
MENN-METHYL ASPARAGINEA,B2V8A0.9
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.9
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.73
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.73
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.73