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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02222687

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UN12-AMINOHEXANEDIOIC ACIDA,B,C,D1H0G0.74
DPL4-OXOPROLINEA,B,C1QFI0.7
MLYN-DIMETHYL-LYSINEB2G9A0.7
MLYN-DIMETHYL-LYSINEB,D2O9K0.7
MLYN-DIMETHYL-LYSINES,V1I840.7
MLYN-DIMETHYL-LYSINEA,B2VD80.7
MLYN-DIMETHYL-LYSINEA,B1YYV0.7
MLYN-DIMETHYL-LYSINEA2R8D0.7
MLYN-DIMETHYL-LYSINEA2RHU0.7
MLYN-DIMETHYL-LYSINEA,B2P4P0.7
MLYN-DIMETHYL-LYSINEC,D2H6N0.7
MLYN-DIMETHYL-LYSINEA,B,P3B950.7
MLYN-DIMETHYL-LYSINEA,B1Z1Y0.7
MLYN-DIMETHYL-LYSINEA,B2QHQ0.7
MLYN-DIMETHYL-LYSINEA2P6V0.7
MLYN-DIMETHYL-LYSINEA,B,D,F2V880.7
MLYN-DIMETHYL-LYSINEC,D2G990.7
MLYN-DIMETHYL-LYSINEA,B2RHI0.7
MLYN-DIMETHYL-LYSINEA,B,C,P2FSA0.7
MLYN-DIMETHYL-LYSINEB,D2RJF0.7
MLYN-DIMETHYL-LYSINEA1VK10.7
MLYN-DIMETHYL-LYSINEA2RHX0.7
MLYN-DIMETHYL-LYSINEA1IV80.7
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O1G0.7
MLYN-DIMETHYL-LYSINEA,B,C1XKP0.7
MLYN-DIMETHYL-LYSINEA,B,C2O3F0.7
MLYN-DIMETHYL-LYSINEA2OAI0.7
MLYN-DIMETHYL-LYSINEA2ZPM0.7
MLYN-DIMETHYL-LYSINEA,D,G,J,M,S1O190.7
MLYN-DIMETHYL-LYSINEA,D,G,J,P1O1C0.7
MLYN-DIMETHYL-LYSINEA3EPQ0.7
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O180.7
MLYN-DIMETHYL-LYSINEA1LLN0.7
MLYN-DIMETHYL-LYSINEA,D,G,P1M8Q0.7
MLYN-DIMETHYL-LYSINEA,B2G9N0.7
MLYN-DIMETHYL-LYSINEA2R580.7
MLYN-DIMETHYL-LYSINEA,B,C,D,E3HSA0.7
MLYN-DIMETHYL-LYSINEA2ETD0.7
MLYN-DIMETHYL-LYSINEB3C0F0.7
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1MVW0.7
MLYN-DIMETHYL-LYSINEA,B2MYS0.7
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O1E0.7
MLYN-DIMETHYL-LYSINEA,B2PQW0.7
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O1D0.7
MLYN-DIMETHYL-LYSINEA,B,C,D,E,F,
G,H
3F9X0.7
MLYN-DIMETHYL-LYSINEA,B,C,D2HO30.7
MLYN-DIMETHYL-LYSINEA,B,F,G2Q8D0.7
MLYN-DIMETHYL-LYSINEA,B,C,D3C8G0.7
MLYN-DIMETHYL-LYSINEA,C2W5Z0.7
MLYN-DIMETHYL-LYSINEA,B,C3EGL0.7
MLYN-DIMETHYL-LYSINEA,B2ETV0.7
MLYN-DIMETHYL-LYSINEA,P2RI70.7
MLYN-DIMETHYL-LYSINEA,B1R1G0.7
MLYN-DIMETHYL-LYSINEA,D,G,J1O1F0.7
MLYN-DIMETHYL-LYSINEA,B,C,D1XL30.7
MLYN-DIMETHYL-LYSINEA132L0.7
MLYN-DIMETHYL-LYSINEA3E3X0.7
MLYN-DIMETHYL-LYSINEA,B2VGX0.7
MLYN-DIMETHYL-LYSINEA,D,G,J1O1B0.7
MLYN-DIMETHYL-LYSINEA2FTZ0.7
MLYN-DIMETHYL-LYSINEA,B,C2VIX0.7
MLYN-DIMETHYL-LYSINEB1GUW0.7
MLYN-DIMETHYL-LYSINEA,B2I6G0.7
MLYN-DIMETHYL-LYSINEA,B2Q7X0.7
MLYN-DIMETHYL-LYSINEA,C,P,Q2RJE0.7
MLYN-DIMETHYL-LYSINEA,B,P,Q2RFI0.7
MLYN-DIMETHYL-LYSINEA,C,P,R2VPE0.7
MLYN-DIMETHYL-LYSINEA,B,C,D3HHL0.7
MLYN-DIMETHYL-LYSINEP2CNX0.7
MLYN-DIMETHYL-LYSINEA2VGY0.7
MLYN-DIMETHYL-LYSINEA,B2VJ40.7
MLYN-DIMETHYL-LYSINEA2FCL0.7
MLYN-DIMETHYL-LYSINE2,3,48KME0.7
MLYN-DIMETHYL-LYSINEA,B,C,D2F4I0.7
MLYN-DIMETHYL-LYSINEA,B2PX80.7
MLYN-DIMETHYL-LYSINEA,B2VD90.7
MLYN-DIMETHYL-LYSINEA,B2QJV0.7
MLYN-DIMETHYL-LYSINEA,C,P,R2VPG0.7
MLYN-DIMETHYL-LYSINEA,B3BED0.7
MLYN-DIMETHYL-LYSINEA3GS90.7
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O1A0.7
MLYN-DIMETHYL-LYSINEA,B2IG00.7
MLYN-DIMETHYL-LYSINEP1KNA0.7
MLYN-DIMETHYL-LYSINEB2H130.7
MLYN-DIMETHYL-LYSINEA,B,C,D2OX00.7
H5MTRANS-3-HYDROXY-5-METHYLPROLINEA,B1A7Z0.76
X7O5-AMINO-3-METHYL-PYRROLIDINE-2-
CARBOXYLIC ACID
A1L2Q0.7
APP1-ACETYL-2-CARBOXYPIPERIDINEA,B,C,D,F,Q1EFR0.74
SSC(2S,5S)-5-CARBOXYMETHYLPROLINEA,B,C,D1Q190.81
DNMN-METHYL-D-NORLEUCINEA,B1S1O0.74
DNMN-METHYL-D-NORLEUCINEA,B1S4A0.74
DNMN-METHYL-D-NORLEUCINEA1R9V0.74
DM0N~2~,N~2~,N~6~,N~6~-tetramethyl-
L-lysine
A132L0.78
M3LN-TRIMETHYLLYSINEA1YCC0.7
M3LN-TRIMETHYLLYSINEA1FHB0.7
M3LN-TRIMETHYLLYSINEA1CIH0.7
M3LN-TRIMETHYLLYSINET3FDT0.7
M3LN-TRIMETHYLLYSINEB1PDQ0.7
M3LN-TRIMETHYLLYSINEA,B,D,E2V870.7
M3LN-TRIMETHYLLYSINEA,B,C,D,E2V830.7
M3LN-TRIMETHYLLYSINEA2YCC0.7
M3LN-TRIMETHYLLYSINEA1CTY0.7
M3LN-TRIMETHYLLYSINEA1YEA0.7
M3LN-TRIMETHYLLYSINEA,B,C,D2PNX0.7
M3LN-TRIMETHYLLYSINEB,D,F,H3DM10.7
M3LN-TRIMETHYLLYSINEA1CHI0.7
M3LN-TRIMETHYLLYSINEB2H9P0.7
M3LN-TRIMETHYLLYSINEA,P2JMJ0.7
M3LN-TRIMETHYLLYSINEA,B,I,J2P5B0.7
M3LN-TRIMETHYLLYSINEP1KNE0.7
M3LN-TRIMETHYLLYSINEC,D2GFA0.7
M3LN-TRIMETHYLLYSINEA,B,F,G2Q8C0.7
M3LN-TRIMETHYLLYSINEA1CSW0.7
M3LN-TRIMETHYLLYSINED2B2U0.7
M3LN-TRIMETHYLLYSINEA1CHH0.7
M3LN-TRIMETHYLLYSINEA,B,C2VNF0.7
M3LN-TRIMETHYLLYSINEA1IRV0.7
M3LN-TRIMETHYLLYSINEA1CIE0.7
M3LN-TRIMETHYLLYSINEA,B,C,D2B2T0.7
M3LN-TRIMETHYLLYSINEC,D2H6Q0.7
M3LN-TRIMETHYLLYSINEA1CHJ0.7
M3LN-TRIMETHYLLYSINEA1RAQ0.7
M3LN-TRIMETHYLLYSINEA,P2K170.7
M3LN-TRIMETHYLLYSINEA1YEB0.7
M3LN-TRIMETHYLLYSINEA,B,D,E2V850.7
M3LN-TRIMETHYLLYSINEA1YIC0.7
M3LN-TRIMETHYLLYSINEA,B,D,E2V890.7
M3LN-TRIMETHYLLYSINEA1CRG0.7
M3LN-TRIMETHYLLYSINEA1CIF0.7
M3LN-TRIMETHYLLYSINEA1CSU0.7
M3LN-TRIMETHYLLYSINEA,B1UP50.7
M3LN-TRIMETHYLLYSINEA1PRW0.7
M3LN-TRIMETHYLLYSINEA,B3DB30.7
M3LN-TRIMETHYLLYSINEA,B3GL60.7
M3LN-TRIMETHYLLYSINEA1RAP0.7
M3LN-TRIMETHYLLYSINEA1CSV0.7
M3LN-TRIMETHYLLYSINEA1CRJ0.7
M3LN-TRIMETHYLLYSINEA1YFC0.7
M3LN-TRIMETHYLLYSINEA,B,C2H230.7
M3LN-TRIMETHYLLYSINEA,B,C,D2OQ60.7
M3LN-TRIMETHYLLYSINEA,B,C,P2F6J0.7
M3LN-TRIMETHYLLYSINEA,B2KGI0.7
M3LN-TRIMETHYLLYSINEA,B1PFB0.7
M3LN-TRIMETHYLLYSINEA1CTZ0.7
M3LN-TRIMETHYLLYSINEA,C,D,E,L,N,
O,P,W
3CX50.7
M3LN-TRIMETHYLLYSINEA,B,P2YYR0.7
M3LN-TRIMETHYLLYSINEC,D2QQS0.7
M3LN-TRIMETHYLLYSINEB3GV60.7
M3LN-TRIMETHYLLYSINEA,B,C2W9K0.7
M3LN-TRIMETHYLLYSINEA1CCR0.7
M3LN-TRIMETHYLLYSINEA,B2G6Q0.7
M3LN-TRIMETHYLLYSINEA,C,D,E,L,N,
O,P,W
3CXH0.7
M3LN-TRIMETHYLLYSINEA1CRI0.7
M3LN-TRIMETHYLLYSINEA,B,C,D2OS20.7
M3LN-TRIMETHYLLYSINEA,B,D,E2V860.7
M3LN-TRIMETHYLLYSINEA1CRH0.7
M3LN-TRIMETHYLLYSINEA1IRW0.7
M3LN-TRIMETHYLLYSINEA,B,F,G2Q8E0.7
M3LN-TRIMETHYLLYSINEA,B2FUU0.7
M3LN-TRIMETHYLLYSINEA,B2QIC0.7
M3LN-TRIMETHYLLYSINEA1CIG0.7
M3LN-TRIMETHYLLYSINEA1CSX0.7
M3LN-TRIMETHYLLYSINED2B2W0.7
M3LN-TRIMETHYLLYSINEA1YTC0.7
M3LN-TRIMETHYLLYSINEA,P3G7L0.7
M3LN-TRIMETHYLLYSINEC,D,E,N,O,P,W1KYO0.7
M3LN-TRIMETHYLLYSINEA,B,C,D3C6W0.7
DPRD-PROLINEP1MCB0.77
DPRD-PROLINEA,B,C,H,K,L2R5B0.77
DPRD-PROLINEA2KDQ0.77
DPRD-PROLINEP1MCS0.77
DPRD-PROLINEA,B2AXI0.77
DPRD-PROLINEA1JY90.77
DPRD-PROLINEA2JUE0.77
DPRD-PROLINEP1MCK0.77
DPRD-PROLINEP1MCR0.77
DPRD-PROLINEA2D550.77
DPRD-PROLINEA1T8J0.77
DPRD-PROLINEA,B2EJ60.77
DPRD-PROLINEP1MCE0.77
DPRD-PROLINEP1MCI0.77
DPRD-PROLINEA,B1SNE0.77
DPRD-PROLINEA,B,C1QFI0.77
DPRD-PROLINEA,P1MCD0.77
DPRD-PROLINEA1ICL0.77
DPRD-PROLINEP1MCQ0.77
DPRD-PROLINEG,M,P,S2I5Y0.77
DPRD-PROLINEA,B,C,D3BOG0.77
DPRD-PROLINEA,L1ZEA0.77
DPRD-PROLINEA,B173D0.77
DPRD-PROLINEA,P1MCJ0.77
DPRD-PROLINEA,B,C1A7Y0.77
DPRD-PROLINEA1IC90.77
DPRD-PROLINEA,B1JY60.77
DPRD-PROLINEA209D0.77
DPRD-PROLINEA1BFW0.77
DPRD-PROLINEA,B1O6I0.77
DPRD-PROLINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.77
DPRD-PROLINEA,B,C,D2R3C0.77
DPRD-PROLINEA,B,C,D1I3W0.77
DPRD-PROLINEA316D0.77
DPRD-PROLINEA,B,C,D1SN90.77
DPRD-PROLINEA,B,C,H,K,L2R5D0.77
DPRD-PROLINEA,B2Q330.77
DPRD-PROLINEG,M,P,S2I600.77
DPRD-PROLINEA,B1JY40.77
DPRD-PROLINEP1MCF0.77
DPRD-PROLINEA,B,C,D,E,F1UNM0.77
DPRD-PROLINEA1ICO0.77
DPRD-PROLINEA,B1XOF0.77
DPRD-PROLINEP1MCC0.77
DPRD-PROLINEA,B,C,D1SNA0.77
N7P1-ACETYL-D-PROLINEA,B,C1NX80.84
4FB(4S)-4-FLUORO-L-PROLINEA2Q6P0.75
POMCIS-5-METHYL-4-OXOPROLINEA,B1A7Z0.81
CPI6-CARBOXYPIPERIDINEA,B,C,D,F,Q1EFR0.71
CPI6-CARBOXYPIPERIDINEB1EOL0.71
CPI6-CARBOXYPIPERIDINEB1EOJ0.71
CPI6-CARBOXYPIPERIDINEA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.71
CPI6-CARBOXYPIPERIDINEA,B2ITK0.71
CPI6-CARBOXYPIPERIDINEA,B2Q5A0.71
LYPN~6~-METHYL-N~6~-PROPYL-L-LYSINEA,E2UXN0.72
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A,B,C,D1M2X0.73
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A,B1J370.73
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A1UZF0.73
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A,B2FU80.73
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A2QDS0.73
MCO1-(3-MERCAPTO-2-METHYL-PROPIONYL)-
PYRROLIDINE-2-CARBOXYLIC ACID
A1JT10.73
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.74
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.74
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.74
PBE1,1-DIMETHYL-PROLINIUMA,B2B4M0.89
PBE1,1-DIMETHYL-PROLINIUMA1R9Q0.89
PBE1,1-DIMETHYL-PROLINIUMA,B1SW10.89