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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01895289

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.71
DNGN-FORMYL-D-NORLEUCINEA,B1S4A0.7
M3LN-TRIMETHYLLYSINEA1YCC0.75
M3LN-TRIMETHYLLYSINEA1FHB0.75
M3LN-TRIMETHYLLYSINEA1CIH0.75
M3LN-TRIMETHYLLYSINET3FDT0.75
M3LN-TRIMETHYLLYSINEB1PDQ0.75
M3LN-TRIMETHYLLYSINEA,B,D,E2V870.75
M3LN-TRIMETHYLLYSINEA,B,C,D,E2V830.75
M3LN-TRIMETHYLLYSINEA2YCC0.75
M3LN-TRIMETHYLLYSINEA1CTY0.75
M3LN-TRIMETHYLLYSINEA1YEA0.75
M3LN-TRIMETHYLLYSINEA,B,C,D2PNX0.75
M3LN-TRIMETHYLLYSINEB,D,F,H3DM10.75
M3LN-TRIMETHYLLYSINEA1CHI0.75
M3LN-TRIMETHYLLYSINEB2H9P0.75
M3LN-TRIMETHYLLYSINEA,P2JMJ0.75
M3LN-TRIMETHYLLYSINEA,B,I,J2P5B0.75
M3LN-TRIMETHYLLYSINEP1KNE0.75
M3LN-TRIMETHYLLYSINEC,D2GFA0.75
M3LN-TRIMETHYLLYSINEA,B,F,G2Q8C0.75
M3LN-TRIMETHYLLYSINEA1CSW0.75
M3LN-TRIMETHYLLYSINED2B2U0.75
M3LN-TRIMETHYLLYSINEA1CHH0.75
M3LN-TRIMETHYLLYSINEA,B,C2VNF0.75
M3LN-TRIMETHYLLYSINEA1IRV0.75
M3LN-TRIMETHYLLYSINEA1CIE0.75
M3LN-TRIMETHYLLYSINEA,B,C,D2B2T0.75
M3LN-TRIMETHYLLYSINEC,D2H6Q0.75
M3LN-TRIMETHYLLYSINEA1CHJ0.75
M3LN-TRIMETHYLLYSINEA1RAQ0.75
M3LN-TRIMETHYLLYSINEA,P2K170.75
M3LN-TRIMETHYLLYSINEA1YEB0.75
M3LN-TRIMETHYLLYSINEA,B,D,E2V850.75
M3LN-TRIMETHYLLYSINEA1YIC0.75
M3LN-TRIMETHYLLYSINEA,B,D,E2V890.75
M3LN-TRIMETHYLLYSINEA1CRG0.75
M3LN-TRIMETHYLLYSINEA1CIF0.75
M3LN-TRIMETHYLLYSINEA1CSU0.75
M3LN-TRIMETHYLLYSINEA,B1UP50.75
M3LN-TRIMETHYLLYSINEA1PRW0.75
M3LN-TRIMETHYLLYSINEA,B3DB30.75
M3LN-TRIMETHYLLYSINEA,B3GL60.75
M3LN-TRIMETHYLLYSINEA1RAP0.75
M3LN-TRIMETHYLLYSINEA1CSV0.75
M3LN-TRIMETHYLLYSINEA1CRJ0.75
M3LN-TRIMETHYLLYSINEA1YFC0.75
M3LN-TRIMETHYLLYSINEA,B,C2H230.75
M3LN-TRIMETHYLLYSINEA,B,C,D2OQ60.75
M3LN-TRIMETHYLLYSINEA,B,C,P2F6J0.75
M3LN-TRIMETHYLLYSINEA,B2KGI0.75
M3LN-TRIMETHYLLYSINEA,B1PFB0.75
M3LN-TRIMETHYLLYSINEA1CTZ0.75
M3LN-TRIMETHYLLYSINEA,C,D,E,L,N,
O,P,W
3CX50.75
M3LN-TRIMETHYLLYSINEA,B,P2YYR0.75
M3LN-TRIMETHYLLYSINEC,D2QQS0.75
M3LN-TRIMETHYLLYSINEB3GV60.75
M3LN-TRIMETHYLLYSINEA,B,C2W9K0.75
M3LN-TRIMETHYLLYSINEA1CCR0.75
M3LN-TRIMETHYLLYSINEA,B2G6Q0.75
M3LN-TRIMETHYLLYSINEA,C,D,E,L,N,
O,P,W
3CXH0.75
M3LN-TRIMETHYLLYSINEA1CRI0.75
M3LN-TRIMETHYLLYSINEA,B,C,D2OS20.75
M3LN-TRIMETHYLLYSINEA,B,D,E2V860.75
M3LN-TRIMETHYLLYSINEA1CRH0.75
M3LN-TRIMETHYLLYSINEA1IRW0.75
M3LN-TRIMETHYLLYSINEA,B,F,G2Q8E0.75
M3LN-TRIMETHYLLYSINEA,B2FUU0.75
M3LN-TRIMETHYLLYSINEA,B2QIC0.75
M3LN-TRIMETHYLLYSINEA1CIG0.75
M3LN-TRIMETHYLLYSINEA1CSX0.75
M3LN-TRIMETHYLLYSINED2B2W0.75
M3LN-TRIMETHYLLYSINEA1YTC0.75
M3LN-TRIMETHYLLYSINEA,P3G7L0.75
M3LN-TRIMETHYLLYSINEC,D,E,N,O,P,W1KYO0.75
M3LN-TRIMETHYLLYSINEA,B,C,D3C6W0.75
DOA12-AMINO-DODECANOIC ACIDB1EOJ0.74
DOA12-AMINO-DODECANOIC ACIDA,D1H8T0.74
DOA12-AMINO-DODECANOIC ACIDA2DCX0.74
DOA12-AMINO-DODECANOIC ACIDB1EOL0.74
DM0N~2~,N~2~,N~6~,N~6~-tetramethyl-
L-lysine
A132L0.72
LDHN~6~-ETHYL-L-LYSINEA,K2IOF0.77
BEQN-(CARBOXYMETHYL)-N,N-DIMETHYL-
3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT
A,B,C,D1YBK0.76
6CL6-CARBOXYLYSINEU2AIZ0.73
CPI6-CARBOXYPIPERIDINEA,B,C,D,F,Q1EFR0.75
CPI6-CARBOXYPIPERIDINEB1EOL0.75
CPI6-CARBOXYPIPERIDINEB1EOJ0.75
CPI6-CARBOXYPIPERIDINEA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.75
CPI6-CARBOXYPIPERIDINEA,B2ITK0.75
CPI6-CARBOXYPIPERIDINEA,B2Q5A0.75
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.73
API2,6-DIAMINOPIMELIC ACIDA2DAP0.73
API2,6-DIAMINOPIMELIC ACIDE,S148L0.73
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.71
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAG0.7
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAF0.7
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA,B,C,D3FMF0.7
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAI0.7
DNMN-METHYL-D-NORLEUCINEA,B1S1O0.76
DNMN-METHYL-D-NORLEUCINEA,B1S4A0.76
DNMN-METHYL-D-NORLEUCINEA1R9V0.76
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
HHK(2S)-2,8-DIAMINOOCTANOIC ACIDA1XY80.73
LYPN~6~-METHYL-N~6~-PROPYL-L-LYSINEA,E2UXN0.77
LLYNZ-(DICARBOXYMETHYL)LYSINEA,B1UCW0.78
140N-PALMITOYLGLYCINEA,B1JPZ0.75
140N-PALMITOYLGLYCINEA,B1ZOA0.75
140N-PALMITOYLGLYCINEA,B3CBD0.75
LP66-piperidin-1-yl-L-norleucineA,B2W7Z0.74
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.77