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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008543

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.71
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.71
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.71
LBYN~6~-(TERT-BUTOXYCARBONYL)-L-LYSINEA2ZIN0.84
TCOTERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATEA1Q6K0.71
CCLN~6~-[(CYCLOPENTYLOXY)CARBONYL]-
D-LYSINE
A2Q7G0.79
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.73
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.73
BRR(2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL}HEXANOIC ACIDA,B1RL40.71
DAA8-AMINO-7-CARBOXYAMINO-NONANOIC ACID WITH ALUMINUM FLUORIDEA1BS10.71
0AGN-(ethoxycarbonyl)-L-leucineI,J1PSA0.77
DZEmethyl (3S)-3-[(tert-butoxycarbonyl)amino]-
4-oxopentanoate
A,B,C,D3GJR0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2QF70.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2RJG0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D3B8T0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2SFP0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1PU60.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,C,E,G1BWV0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2VTD0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2Z2A0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V690.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,E,F,H,
I,J,K,M,O,P,
R,T,V,W
1UZD0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1XGE0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1XQK0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2FTY0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2Z2B0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1K4E0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1K6S0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,C1S3T0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1W7K0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2RJH0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA3GU90.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1L6G0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2Z240.73
KCXLYSINE NZ-CARBOXYLIC ACIDB,E,H,K,L,O,
R,V
1UPM0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA3FDK0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1RCQ0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2EG60.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D3E740.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1EJV0.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWD0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA3GU10.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D3B8W0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1PU70.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1POK0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2Z290.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1S3H0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,K,P2O4Q0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1E4D0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1K380.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2FTW0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1GKQ0.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1EJX0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2R1K0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D3HBR0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2JFG0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2VTE0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1H010.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1VFH0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2QPX0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA3C0Q0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B3DC80.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2VC70.73
KCXLYSINE NZ-CARBOXYLIC ACIDA3GTF0.73
KCXLYSINE NZ-CARBOXYLIC ACIDC2KAU0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1HL80.73
KCXLYSINE NZ-CARBOXYLIC ACIDB1E9Y0.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWB0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H
1K1D0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1U5J0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1GKR0.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWE0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1UAG0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1PO90.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1EJR0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1RQB0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V670.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1EJS0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1K570.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D3B8U0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,E,F,H,
J,K,M,O,P,R,
T,V,W
1UZH0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2FVK0.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1EJU0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1EYW0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2R1N0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2Z270.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,P2O4M0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1K540.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1L6F0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2AQV0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1JGM0.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1KRB0.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1EJT0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA3GNH0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D3BG30.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H
3DUG0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDI0.73
KCXLYSINE NZ-CARBOXYLIC ACIDB1E9Z0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1POJ0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2EG70.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWF0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1E8C0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V630.73
KCXLYSINE NZ-CARBOXYLIC ACIDA3GTH0.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWC0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D3B8V0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2UAG0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,E,H,I,
J,K,M,O,P,R,
T,V,W
1UW90.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,C3UBP0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1JBV0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1NFG0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1ONX0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1YBQ0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA3HTW0.73
KCXLYSINE NZ-CARBOXYLIC ACID1,2,3,4,5,6,
7,8,A,B,C,D,
E,F,G,H,I,J,
K,L,M,N,O,P,
S,T,U,V,W,X,
Y,Z
1IR20.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1EZ20.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWJ0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2Z250.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1XQL0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2UUP0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1VFT0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA4UAG0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2AQO0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,C1UBP0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,S,T,
U,V
1IR10.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2R1P0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,C2UBP0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V680.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,C1IE70.73
KCXLYSINE NZ-CARBOXYLIC ACIDB,E,H,L1RXO0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,E,S,W1WDD0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1EF20.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2Z280.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,C,E,G,I,K,
M,O
1GK80.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2JFH0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2V6A0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1OIR0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2P9V0.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWI0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1JBW0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1K550.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2E250.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1EPV0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1J790.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,C4UBP0.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWA0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA3C0S0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2RL30.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWH0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2JFF0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA3GTX0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1W780.73
KCXLYSINE NZ-CARBOXYLIC ACIDA3GTI0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1VFS0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2OEL0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1M6K0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1P6B0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2Z260.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,C,E,G8RUC0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2R1L0.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1FWG0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D1K560.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2OEK0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2UUO0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1RQH0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2EG80.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2FVM0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1PU80.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2R1M0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1ONW0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA1RR20.73
KCXLYSINE NZ-CARBOXYLIC ACIDA3GU20.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2ODO0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1K4F0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1HL90.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VDH0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C2UYN0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2OEM0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2GC50.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1FTX0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,D,E,H,K,
O,R,V
1UWA0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2GWN0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D,E,F1GKP0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA3UAG0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA2ZC10.73
KCXLYSINE NZ-CARBOXYLIC ACIDC1EJW0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B2J6V0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1P6C0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1QW70.73
KCXLYSINE NZ-CARBOXYLIC ACIDB,E,H,L1AA10.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,C,E,G1UPP0.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B,C,D2VC50.73
KCXLYSINE NZ-CARBOXYLIC ACIDA,B1NIU0.73
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
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.76
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAG0.73
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAF0.73
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA,B,C,D3FMF0.73
DSD7-(CARBOXYAMINO)-8-AMINO-NONANOIC ACIDA1DAI0.73
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.72
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3HF00.76
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA,B,D,E,F3FDM0.76
XCP(1S,2S)-2-aminocyclopentanecarboxylic acidA3C3H0.76