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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02356067

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APP1-ACETYL-2-CARBOXYPIPERIDINEA,B,C,D,F,Q1EFR0.73
DILD-ISOLEUCINEA,B2Q330.71
DILD-ISOLEUCINEA1CWZ0.71
DILD-ISOLEUCINEA1CVQ0.71
DILD-ISOLEUCINEA1C4B0.71
DILD-ISOLEUCINEA1CW80.71
DILD-ISOLEUCINEA2AP80.71
PBE1,1-DIMETHYL-PROLINIUMA,B2B4M0.76
PBE1,1-DIMETHYL-PROLINIUMA1R9Q0.76
PBE1,1-DIMETHYL-PROLINIUMA,B1SW10.76
IILISO-ISOLEUCINEA,B,C,D1Q4V0.71
IILISO-ISOLEUCINEA1KMF0.71
IILISO-ISOLEUCINEA,B,C1TGG0.71
IILISO-ISOLEUCINEA1RH40.71
LEF(4S)-5-FLUORO-L-LEUCINEA1OGW0.72
MVAN-METHYLVALINEA209D0.73
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.73
MVAN-METHYLVALINEC1CWH0.73
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
1UNJ0.73
MVAN-METHYLVALINEA1DSD0.73
MVAN-METHYLVALINEB1L1V0.73
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.73
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.73
MVAN-METHYLVALINEC1CWO0.73
MVAN-METHYLVALINEC1CWL0.73
MVAN-METHYLVALINEB1MIK0.73
MVAN-METHYLVALINEA1CSA0.73
MVAN-METHYLVALINEC1CWM0.73
MVAN-METHYLVALINEA1PFE0.73
MVAN-METHYLVALINEA,B,D,E,F,H1M630.73
MVAN-METHYLVALINEC1CWC0.73
MVAN-METHYLVALINEB,D,F,H2RMC0.73
MVAN-METHYLVALINEC1CWK0.73
MVAN-METHYLVALINEC1CYN0.73
MVAN-METHYLVALINEC,D1MNV0.73
MVAN-METHYLVALINEC,D2OJU0.73
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.73
MVAN-METHYLVALINEA1CYB0.73
MVAN-METHYLVALINED1QNG0.73
MVAN-METHYLVALINEA,C,E,G2ADW0.73
MVAN-METHYLVALINEC1CWB0.73
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.73
MVAN-METHYLVALINEA,B1OVF0.73
MVAN-METHYLVALINEA,B185D0.73
MVAN-METHYLVALINEA1XVK0.73
MVAN-METHYLVALINEA,C1XVR0.73
MVAN-METHYLVALINEA,B173D0.73
MVAN-METHYLVALINEA,B1FJA0.73
MVAN-METHYLVALINEB3CYS0.73
MVAN-METHYLVALINEA,B,C1A7Y0.73
MVAN-METHYLVALINEA,B,C1L5G0.73
MVAN-METHYLVALINEA,B,C,D1I3W0.73
MVAN-METHYLVALINEA316D0.73
MVAN-METHYLVALINEA1XVN0.73
MVAN-METHYLVALINEC1IKF0.73
MVAN-METHYLVALINEA,M,N2Z6W0.73
MVAN-METHYLVALINEA,B,C1QFI0.73
MVAN-METHYLVALINEA,B3GO30.73
MVAN-METHYLVALINEC1CWA0.73
MVAN-METHYLVALINEC1CWF0.73
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.73
MVAN-METHYLVALINED,E,F1XQ70.73
MVAN-METHYLVALINEA1CYA0.73
MVAN-METHYLVALINEA,B,D1MF80.73
MVAN-METHYLVALINEA,B1A7Z0.73
MVAN-METHYLVALINEA1DSC0.73
MVAN-METHYLVALINET,U,V2POY0.73
MVAN-METHYLVALINEA2D550.73
MVAN-METHYLVALINEC1BCK0.73
MVAN-METHYLVALINEC1CWI0.73
MVAN-METHYLVALINEC,D1QNH0.73
MVAN-METHYLVALINEA1VS20.73
SYM2S,4R-4-METHYLGLUTAMATEA,B1SD30.7
CPC2-METHYL-1-METHYLAMINO-CYCLOPROPANE CARBOXYLIC ACIDC,D193D0.73
MLYN-DIMETHYL-LYSINEB2G9A0.72
MLYN-DIMETHYL-LYSINEB,D2O9K0.72
MLYN-DIMETHYL-LYSINES,V1I840.72
MLYN-DIMETHYL-LYSINEA,B2VD80.72
MLYN-DIMETHYL-LYSINEA,B1YYV0.72
MLYN-DIMETHYL-LYSINEA2R8D0.72
MLYN-DIMETHYL-LYSINEA2RHU0.72
MLYN-DIMETHYL-LYSINEA,B2P4P0.72
MLYN-DIMETHYL-LYSINEC,D2H6N0.72
MLYN-DIMETHYL-LYSINEA,B,P3B950.72
MLYN-DIMETHYL-LYSINEA,B1Z1Y0.72
MLYN-DIMETHYL-LYSINEA,B2QHQ0.72
MLYN-DIMETHYL-LYSINEA2P6V0.72
MLYN-DIMETHYL-LYSINEA,B,D,F2V880.72
MLYN-DIMETHYL-LYSINEC,D2G990.72
MLYN-DIMETHYL-LYSINEA,B2RHI0.72
MLYN-DIMETHYL-LYSINEA,B,C,P2FSA0.72
MLYN-DIMETHYL-LYSINEB,D2RJF0.72
MLYN-DIMETHYL-LYSINEA1VK10.72
MLYN-DIMETHYL-LYSINEA2RHX0.72
MLYN-DIMETHYL-LYSINEA1IV80.72
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O1G0.72
MLYN-DIMETHYL-LYSINEA,B,C1XKP0.72
MLYN-DIMETHYL-LYSINEA,B,C2O3F0.72
MLYN-DIMETHYL-LYSINEA2OAI0.72
MLYN-DIMETHYL-LYSINEA2ZPM0.72
MLYN-DIMETHYL-LYSINEA,D,G,J,M,S1O190.72
MLYN-DIMETHYL-LYSINEA,D,G,J,P1O1C0.72
MLYN-DIMETHYL-LYSINEA3EPQ0.72
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O180.72
MLYN-DIMETHYL-LYSINEA1LLN0.72
MLYN-DIMETHYL-LYSINEA,D,G,P1M8Q0.72
MLYN-DIMETHYL-LYSINEA,B2G9N0.72
MLYN-DIMETHYL-LYSINEA2R580.72
MLYN-DIMETHYL-LYSINEA,B,C,D,E3HSA0.72
MLYN-DIMETHYL-LYSINEA2ETD0.72
MLYN-DIMETHYL-LYSINEB3C0F0.72
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1MVW0.72
MLYN-DIMETHYL-LYSINEA,B2MYS0.72
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O1E0.72
MLYN-DIMETHYL-LYSINEA,B2PQW0.72
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O1D0.72
MLYN-DIMETHYL-LYSINEA,B,C,D,E,F,
G,H
3F9X0.72
MLYN-DIMETHYL-LYSINEA,B,C,D2HO30.72
MLYN-DIMETHYL-LYSINEA,B,F,G2Q8D0.72
MLYN-DIMETHYL-LYSINEA,B,C,D3C8G0.72
MLYN-DIMETHYL-LYSINEA,C2W5Z0.72
MLYN-DIMETHYL-LYSINEA,B,C3EGL0.72
MLYN-DIMETHYL-LYSINEA,B2ETV0.72
MLYN-DIMETHYL-LYSINEA,P2RI70.72
MLYN-DIMETHYL-LYSINEA,B1R1G0.72
MLYN-DIMETHYL-LYSINEA,D,G,J1O1F0.72
MLYN-DIMETHYL-LYSINEA,B,C,D1XL30.72
MLYN-DIMETHYL-LYSINEA132L0.72
MLYN-DIMETHYL-LYSINEA3E3X0.72
MLYN-DIMETHYL-LYSINEA,B2VGX0.72
MLYN-DIMETHYL-LYSINEA,D,G,J1O1B0.72
MLYN-DIMETHYL-LYSINEA2FTZ0.72
MLYN-DIMETHYL-LYSINEA,B,C2VIX0.72
MLYN-DIMETHYL-LYSINEB1GUW0.72
MLYN-DIMETHYL-LYSINEA,B2I6G0.72
MLYN-DIMETHYL-LYSINEA,B2Q7X0.72
MLYN-DIMETHYL-LYSINEA,C,P,Q2RJE0.72
MLYN-DIMETHYL-LYSINEA,B,P,Q2RFI0.72
MLYN-DIMETHYL-LYSINEA,C,P,R2VPE0.72
MLYN-DIMETHYL-LYSINEA,B,C,D3HHL0.72
MLYN-DIMETHYL-LYSINEP2CNX0.72
MLYN-DIMETHYL-LYSINEA2VGY0.72
MLYN-DIMETHYL-LYSINEA,B2VJ40.72
MLYN-DIMETHYL-LYSINEA2FCL0.72
MLYN-DIMETHYL-LYSINE2,3,48KME0.72
MLYN-DIMETHYL-LYSINEA,B,C,D2F4I0.72
MLYN-DIMETHYL-LYSINEA,B2PX80.72
MLYN-DIMETHYL-LYSINEA,B2VD90.72
MLYN-DIMETHYL-LYSINEA,B2QJV0.72
MLYN-DIMETHYL-LYSINEA,C,P,R2VPG0.72
MLYN-DIMETHYL-LYSINEA,B3BED0.72
MLYN-DIMETHYL-LYSINEA3GS90.72
MLYN-DIMETHYL-LYSINEA,D,G,J,M,P1O1A0.72
MLYN-DIMETHYL-LYSINEA,B2IG00.72
MLYN-DIMETHYL-LYSINEP1KNA0.72
MLYN-DIMETHYL-LYSINEB2H130.72
MLYN-DIMETHYL-LYSINEA,B,C,D2OX00.72
MHLN-METHYL-4-HYDROXY-LEUCINEC1CWL0.74
LALN,N-DIMETHYL-L-ALANINEA,B1R1G0.71
DNMN-METHYL-D-NORLEUCINEA,B1S1O0.7
DNMN-METHYL-D-NORLEUCINEA,B1S4A0.7
DNMN-METHYL-D-NORLEUCINEA1R9V0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.7
MCP2-CARBOXY-4-METHYLPIPERIDINEH1ETR0.73
DLED-LEUCINEA,B1ALZ0.75
DLED-LEUCINEA,B1BDW0.75
DLED-LEUCINEA,D1CZQ0.75
DLED-LEUCINEA1BFW0.75
DLED-LEUCINEE,F,G,H1XN20.75
DLED-LEUCINEA,B,C,D1GMK0.75
DLED-LEUCINEA,B1TKQ0.75
DLED-LEUCINEA,B,C,H,K,L2R5D0.75
DLED-LEUCINEA2NPV0.75
DLED-LEUCINEA,B,C,D2R3C0.75
DLED-LEUCINEB,D,E1AFQ0.75
DLED-LEUCINEA,B1MIC0.75
DLED-LEUCINEA,B1NRU0.75
DLED-LEUCINEA,B1JNO0.75
DLED-LEUCINEA,B1GRM0.75
DLED-LEUCINEA,B1NRM0.75
DLED-LEUCINEA,D2Q3I0.75
DLED-LEUCINEA,B1NT50.75
DLED-LEUCINEA2JUE0.75
DLED-LEUCINEA,B,C,D1AV20.75
DLED-LEUCINEA1YY20.75
DLED-LEUCINEA,B1AL40.75
DLED-LEUCINEA,B1NG80.75
DLED-LEUCINEA,B1ALX0.75
DLED-LEUCINEA,B1JO40.75
DLED-LEUCINEA,B,C,H,K,L2R5B0.75
DLED-LEUCINEA,B1MAG0.75
DLED-LEUCINEA,B1NT60.75
DLED-LEUCINEA,B2Q330.75
DLED-LEUCINEA,B1JO30.75
DLED-LEUCINEE,I1BLL0.75
DLED-LEUCINEA,B1KQE0.75
DLED-LEUCINEA,B,C,D1W5U0.75
DLED-LEUCINEA,B,C,D2IZQ0.75
DLED-LEUCINEA1C4B0.75
DLED-LEUCINEA,B,C,D1C4D0.75
M3LN-TRIMETHYLLYSINEA1YCC0.72
M3LN-TRIMETHYLLYSINEA1FHB0.72
M3LN-TRIMETHYLLYSINEA1CIH0.72
M3LN-TRIMETHYLLYSINET3FDT0.72
M3LN-TRIMETHYLLYSINEB1PDQ0.72
M3LN-TRIMETHYLLYSINEA,B,D,E2V870.72
M3LN-TRIMETHYLLYSINEA,B,C,D,E2V830.72
M3LN-TRIMETHYLLYSINEA2YCC0.72
M3LN-TRIMETHYLLYSINEA1CTY0.72
M3LN-TRIMETHYLLYSINEA1YEA0.72
M3LN-TRIMETHYLLYSINEA,B,C,D2PNX0.72
M3LN-TRIMETHYLLYSINEB,D,F,H3DM10.72
M3LN-TRIMETHYLLYSINEA1CHI0.72
M3LN-TRIMETHYLLYSINEB2H9P0.72
M3LN-TRIMETHYLLYSINEA,P2JMJ0.72
M3LN-TRIMETHYLLYSINEA,B,I,J2P5B0.72
M3LN-TRIMETHYLLYSINEP1KNE0.72
M3LN-TRIMETHYLLYSINEC,D2GFA0.72
M3LN-TRIMETHYLLYSINEA,B,F,G2Q8C0.72
M3LN-TRIMETHYLLYSINEA1CSW0.72
M3LN-TRIMETHYLLYSINED2B2U0.72
M3LN-TRIMETHYLLYSINEA1CHH0.72
M3LN-TRIMETHYLLYSINEA,B,C2VNF0.72
M3LN-TRIMETHYLLYSINEA1IRV0.72
M3LN-TRIMETHYLLYSINEA1CIE0.72
M3LN-TRIMETHYLLYSINEA,B,C,D2B2T0.72
M3LN-TRIMETHYLLYSINEC,D2H6Q0.72
M3LN-TRIMETHYLLYSINEA1CHJ0.72
M3LN-TRIMETHYLLYSINEA1RAQ0.72
M3LN-TRIMETHYLLYSINEA,P2K170.72
M3LN-TRIMETHYLLYSINEA1YEB0.72
M3LN-TRIMETHYLLYSINEA,B,D,E2V850.72
M3LN-TRIMETHYLLYSINEA1YIC0.72
M3LN-TRIMETHYLLYSINEA,B,D,E2V890.72
M3LN-TRIMETHYLLYSINEA1CRG0.72
M3LN-TRIMETHYLLYSINEA1CIF0.72
M3LN-TRIMETHYLLYSINEA1CSU0.72
M3LN-TRIMETHYLLYSINEA,B1UP50.72
M3LN-TRIMETHYLLYSINEA1PRW0.72
M3LN-TRIMETHYLLYSINEA,B3DB30.72
M3LN-TRIMETHYLLYSINEA,B3GL60.72
M3LN-TRIMETHYLLYSINEA1RAP0.72
M3LN-TRIMETHYLLYSINEA1CSV0.72
M3LN-TRIMETHYLLYSINEA1CRJ0.72
M3LN-TRIMETHYLLYSINEA1YFC0.72
M3LN-TRIMETHYLLYSINEA,B,C2H230.72
M3LN-TRIMETHYLLYSINEA,B,C,D2OQ60.72
M3LN-TRIMETHYLLYSINEA,B,C,P2F6J0.72
M3LN-TRIMETHYLLYSINEA,B2KGI0.72
M3LN-TRIMETHYLLYSINEA,B1PFB0.72
M3LN-TRIMETHYLLYSINEA1CTZ0.72
M3LN-TRIMETHYLLYSINEA,C,D,E,L,N,
O,P,W
3CX50.72
M3LN-TRIMETHYLLYSINEA,B,P2YYR0.72
M3LN-TRIMETHYLLYSINEC,D2QQS0.72
M3LN-TRIMETHYLLYSINEB3GV60.72
M3LN-TRIMETHYLLYSINEA,B,C2W9K0.72
M3LN-TRIMETHYLLYSINEA1CCR0.72
M3LN-TRIMETHYLLYSINEA,B2G6Q0.72
M3LN-TRIMETHYLLYSINEA,C,D,E,L,N,
O,P,W
3CXH0.72
M3LN-TRIMETHYLLYSINEA1CRI0.72
M3LN-TRIMETHYLLYSINEA,B,C,D2OS20.72
M3LN-TRIMETHYLLYSINEA,B,D,E2V860.72
M3LN-TRIMETHYLLYSINEA1CRH0.72
M3LN-TRIMETHYLLYSINEA1IRW0.72
M3LN-TRIMETHYLLYSINEA,B,F,G2Q8E0.72
M3LN-TRIMETHYLLYSINEA,B2FUU0.72
M3LN-TRIMETHYLLYSINEA,B2QIC0.72
M3LN-TRIMETHYLLYSINEA1CIG0.72
M3LN-TRIMETHYLLYSINEA1CSX0.72
M3LN-TRIMETHYLLYSINED2B2W0.72
M3LN-TRIMETHYLLYSINEA1YTC0.72
M3LN-TRIMETHYLLYSINEA,P3G7L0.72
M3LN-TRIMETHYLLYSINEC,D,E,N,O,P,W1KYO0.72
M3LN-TRIMETHYLLYSINEA,B,C,D3C6W0.72
N7P1-ACETYL-D-PROLINEA,B,C1NX80.71
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.71
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.77
LDHN~6~-ETHYL-L-LYSINEA,K2IOF0.7
IMLN-METHYL-ISOLEUCINEC1CWM0.79
DIQ2-METHYL-DECAHYDRO-ISOQUINOLINE-
3-CARBOXYLIC ACID
A,B1HXB0.71
DIQ2-METHYL-DECAHYDRO-ISOQUINOLINE-
3-CARBOXYLIC ACID
A,B2FGU0.71
DIQ2-METHYL-DECAHYDRO-ISOQUINOLINE-
3-CARBOXYLIC ACID
A,B2FGV0.71
DIQ2-METHYL-DECAHYDRO-ISOQUINOLINE-
3-CARBOXYLIC ACID
A,B1MTB0.71
MLEN-METHYLLEUCINEA,D2J9A0.82
MLEN-METHYLLEUCINEC1IKF0.82
MLEN-METHYLLEUCINEA,M,N2Z6W0.82
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.82
MLEN-METHYLLEUCINED,E,F1XQ70.82
MLEN-METHYLLEUCINEC1CWA0.82
MLEN-METHYLLEUCINEC1CWF0.82
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.82
MLEN-METHYLLEUCINEB3CYS0.82
MLEN-METHYLLEUCINEC1CWH0.82
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.82
MLEN-METHYLLEUCINEC1CYN0.82
MLEN-METHYLLEUCINEA1LV90.82
MLEN-METHYLLEUCINEC,D2OJU0.82
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.82
MLEN-METHYLLEUCINEA1IKM0.82
MLEN-METHYLLEUCINEC1CWK0.82
MLEN-METHYLLEUCINEA,B2HG80.82
MLEN-METHYLLEUCINEC1CWB0.82
MLEN-METHYLLEUCINEC1CWJ0.82
MLEN-METHYLLEUCINEA1CYB0.82
MLEN-METHYLLEUCINED1QNG0.82
MLEN-METHYLLEUCINEB1MIK0.82
MLEN-METHYLLEUCINEA1CSA0.82
MLEN-METHYLLEUCINEC1CWL0.82
MLEN-METHYLLEUCINEA1CYA0.82
MLEN-METHYLLEUCINEA,B,D1MF80.82
MLEN-METHYLLEUCINEC1BCK0.82
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.82
MLEN-METHYLLEUCINEC1CWC0.82
MLEN-METHYLLEUCINEC1CWI0.82
MLEN-METHYLLEUCINEC,D1QNH0.82
MLEN-METHYLLEUCINEB,D,F,H2RMC0.82
MLEN-METHYLLEUCINEC1CWM0.82
MLEN-METHYLLEUCINET,U,V2POY0.82
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.82
MLEN-METHYLLEUCINEC1CWO0.82
MLEN-METHYLLEUCINEA1IKL0.82
LYPN~6~-METHYL-N~6~-PROPYL-L-LYSINEA,E2UXN0.73
INC2-(ACETYL-HYDROXY-AMINO)-4-METHYL-
PENTANOIC ACID METHYL ESTER
A7TLN0.79
DM0N~2~,N~2~,N~6~,N~6~-tetramethyl-
L-lysine
A132L0.8
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.71
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.75
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.75
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.75
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.72
AN0N-ACETYL-L-NORVALINEA1ZQ80.72
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.79