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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02232770

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MVAN-METHYLVALINEA209D0.74
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.74
MVAN-METHYLVALINEC1CWH0.74
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
1UNJ0.74
MVAN-METHYLVALINEA1DSD0.74
MVAN-METHYLVALINEB1L1V0.74
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.74
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.74
MVAN-METHYLVALINEC1CWO0.74
MVAN-METHYLVALINEC1CWL0.74
MVAN-METHYLVALINEB1MIK0.74
MVAN-METHYLVALINEA1CSA0.74
MVAN-METHYLVALINEC1CWM0.74
MVAN-METHYLVALINEA1PFE0.74
MVAN-METHYLVALINEA,B,D,E,F,H1M630.74
MVAN-METHYLVALINEC1CWC0.74
MVAN-METHYLVALINEB,D,F,H2RMC0.74
MVAN-METHYLVALINEC1CWK0.74
MVAN-METHYLVALINEC1CYN0.74
MVAN-METHYLVALINEC,D1MNV0.74
MVAN-METHYLVALINEC,D2OJU0.74
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.74
MVAN-METHYLVALINEA1CYB0.74
MVAN-METHYLVALINED1QNG0.74
MVAN-METHYLVALINEA,C,E,G2ADW0.74
MVAN-METHYLVALINEC1CWB0.74
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.74
MVAN-METHYLVALINEA,B1OVF0.74
MVAN-METHYLVALINEA,B185D0.74
MVAN-METHYLVALINEA1XVK0.74
MVAN-METHYLVALINEA,C1XVR0.74
MVAN-METHYLVALINEA,B173D0.74
MVAN-METHYLVALINEA,B1FJA0.74
MVAN-METHYLVALINEB3CYS0.74
MVAN-METHYLVALINEA,B,C1A7Y0.74
MVAN-METHYLVALINEA,B,C1L5G0.74
MVAN-METHYLVALINEA,B,C,D1I3W0.74
MVAN-METHYLVALINEA316D0.74
MVAN-METHYLVALINEA1XVN0.74
MVAN-METHYLVALINEC1IKF0.74
MVAN-METHYLVALINEA,M,N2Z6W0.74
MVAN-METHYLVALINEA,B,C1QFI0.74
MVAN-METHYLVALINEA,B3GO30.74
MVAN-METHYLVALINEC1CWA0.74
MVAN-METHYLVALINEC1CWF0.74
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.74
MVAN-METHYLVALINED,E,F1XQ70.74
MVAN-METHYLVALINEA1CYA0.74
MVAN-METHYLVALINEA,B,D1MF80.74
MVAN-METHYLVALINEA,B1A7Z0.74
MVAN-METHYLVALINEA1DSC0.74
MVAN-METHYLVALINET,U,V2POY0.74
MVAN-METHYLVALINEA2D550.74
MVAN-METHYLVALINEC1BCK0.74
MVAN-METHYLVALINEC1CWI0.74
MVAN-METHYLVALINEC,D1QNH0.74
MVAN-METHYLVALINEA1VS20.74
NLGN-ACETYL-L-GLUTAMATEA1OH90.77
NLGN-ACETYL-L-GLUTAMATEA1OHA0.77
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.77
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.77
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.77
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.77
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.77
NLGN-ACETYL-L-GLUTAMATEA3B8G0.77
NLGN-ACETYL-L-GLUTAMATEA1GS50.77
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.77
SIC(2R)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-
1-yl]-3-sulfanylpropanoic acid
A,B3DIP0.71
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.86
AYAN-ACETYLALANINEA1D0W0.75
AYAN-ACETYLALANINEA1AH40.75
AYAN-ACETYLALANINEA,B1VBP0.75
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.75
AYAN-ACETYLALANINEA,B,C,D1OUW0.75
AYAN-ACETYLALANINEA1AH30.75
AYAN-ACETYLALANINEA1EKO0.75
AYAN-ACETYLALANINEB,D,F,H2V4I0.75
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.75
AYAN-ACETYLALANINEA,B,C,D1J4U0.75
DAB2,4-DIAMINOBUTYRIC ACIDA,B,C,D1J730.75
DAB2,4-DIAMINOBUTYRIC ACIDA1JDK0.75
DAB2,4-DIAMINOBUTYRIC ACIDA,B,C,D3D3S0.75
DAB2,4-DIAMINOBUTYRIC ACIDA,B3DS90.75
DAB2,4-DIAMINOBUTYRIC ACIDA1J9V0.75
DAB2,4-DIAMINOBUTYRIC ACIDA2PM10.75
DAB2,4-DIAMINOBUTYRIC ACIDA1JAR0.75
DAB2,4-DIAMINOBUTYRIC ACIDA,B1B4H0.75
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.73
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
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.76
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.95
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
1GH00.95
MENN-METHYL ASPARAGINEA,B,C,D1XF60.95
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.95
MENN-METHYL ASPARAGINEA,B1I7Y0.95
MENN-METHYL ASPARAGINEA,B3BRP0.95
MENN-METHYL ASPARAGINEA,B1JBO0.95
MENN-METHYL ASPARAGINEA,B1ALL0.95
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.95
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
1HA70.95
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.95
MENN-METHYL ASPARAGINEA,B1KTP0.95
MENN-METHYL ASPARAGINEA,B1PHN0.95
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.95
MENN-METHYL ASPARAGINEA,B,C,D1XG00.95
MENN-METHYL ASPARAGINEA,B2VJT0.95
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.95
MENN-METHYL ASPARAGINEA,B2V8A0.95
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.95
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.72
IMLN-METHYL-ISOLEUCINEC1CWM0.71
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.77
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.77
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
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.71
AMEN-ACETYLMETHIONINEA,B2J4Y0.71
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.95
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.95
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.95
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.95
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.95
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.71
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.79
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.79
NXAN-CARBOXYALANINEA2IUX0.71
NXAN-CARBOXYALANINEA1O8A0.71
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.77
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.82
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.82
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.82
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.82
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.82
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.82
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C1EKX0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q950.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1TTH0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1ACM0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1D090.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1XJW0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA1ML40.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDB,D1I5O0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1F1B0.71
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D8ATC0.71
DNMN-METHYL-D-NORLEUCINEA,B1S1O0.71
DNMN-METHYL-D-NORLEUCINEA,B1S4A0.71
DNMN-METHYL-D-NORLEUCINEA1R9V0.71
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.82
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.74
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.74
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.74
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.78
AN0N-ACETYL-L-NORVALINEA1ZQ80.78
NSKN-SUCCINYL LYSINEA2P8B0.76
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.72
MLEN-METHYLLEUCINEA,D2J9A0.71
MLEN-METHYLLEUCINEC1IKF0.71
MLEN-METHYLLEUCINEA,M,N2Z6W0.71
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.71
MLEN-METHYLLEUCINED,E,F1XQ70.71
MLEN-METHYLLEUCINEC1CWA0.71
MLEN-METHYLLEUCINEC1CWF0.71
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.71
MLEN-METHYLLEUCINEB3CYS0.71
MLEN-METHYLLEUCINEC1CWH0.71
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.71
MLEN-METHYLLEUCINEC1CYN0.71
MLEN-METHYLLEUCINEA1LV90.71
MLEN-METHYLLEUCINEC,D2OJU0.71
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.71
MLEN-METHYLLEUCINEA1IKM0.71
MLEN-METHYLLEUCINEC1CWK0.71
MLEN-METHYLLEUCINEA,B2HG80.71
MLEN-METHYLLEUCINEC1CWB0.71
MLEN-METHYLLEUCINEC1CWJ0.71
MLEN-METHYLLEUCINEA1CYB0.71
MLEN-METHYLLEUCINED1QNG0.71
MLEN-METHYLLEUCINEB1MIK0.71
MLEN-METHYLLEUCINEA1CSA0.71
MLEN-METHYLLEUCINEC1CWL0.71
MLEN-METHYLLEUCINEA1CYA0.71
MLEN-METHYLLEUCINEA,B,D1MF80.71
MLEN-METHYLLEUCINEC1BCK0.71
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.71
MLEN-METHYLLEUCINEC1CWC0.71
MLEN-METHYLLEUCINEC1CWI0.71
MLEN-METHYLLEUCINEC,D1QNH0.71
MLEN-METHYLLEUCINEB,D,F,H2RMC0.71
MLEN-METHYLLEUCINEC1CWM0.71
MLEN-METHYLLEUCINET,U,V2POY0.71
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.71
MLEN-METHYLLEUCINEC1CWO0.71
MLEN-METHYLLEUCINEA1IKL0.71
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.74
MEQN5-METHYLGLUTAMINEA,B1NV80.73
DSGD-ASPARAGINEA,B2Q330.84
DSGD-ASPARAGINEA2IH00.84
DSGD-ASPARAGINEA2JUE0.84
DSGD-ASPARAGINEA1A850.84
DSGD-ASPARAGINEA1T5N0.84
DSGD-ASPARAGINEA2IGZ0.84
DSGD-ASPARAGINEA,B,C,D3BOG0.84
DSGD-ASPARAGINEA1T5M0.84
DSGD-ASPARAGINEA,B1HXB0.84
SMGN-SUCCINYL METHIONINEA,B,C,D1SJC0.76