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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009071

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ABAALPHA-AMINOBUTYRIC ACIDA1A3P0.72
ABAALPHA-AMINOBUTYRIC ACIDA,S1RBD0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B1ZII0.72
ABAALPHA-AMINOBUTYRIC ACIDM,N,O,P2ZSW0.72
ABAALPHA-AMINOBUTYRIC ACIDA1T9E0.72
ABAALPHA-AMINOBUTYRIC ACIDC,D2OJU0.72
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T		2RMA0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6M0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1H0.72
ABAALPHA-AMINOBUTYRIC ACIDA1CYA0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,D1MF80.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,D2J9K0.72
ABAALPHA-AMINOBUTYRIC ACIDD,E,F1XQ70.72
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P		1C5F0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,I8HVP0.72
ABAALPHA-AMINOBUTYRIC ACIDA1W9N0.72
ABAALPHA-AMINOBUTYRIC ACIDC1CWA0.72
ABAALPHA-AMINOBUTYRIC ACIDA1MQX0.72
ABAALPHA-AMINOBUTYRIC ACIDE,S1Z3L0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,C7HVP0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6J0.72
ABAALPHA-AMINOBUTYRIC ACIDC1IKF0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXS0.72
ABAALPHA-AMINOBUTYRIC ACIDA,M,N2Z6W0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4K0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,I4HVP0.72
ABAALPHA-AMINOBUTYRIC ACIDA2JUV0.72
ABAALPHA-AMINOBUTYRIC ACIDA1AJ10.72
ABAALPHA-AMINOBUTYRIC ACIDB3CYS0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLC0.72
ABAALPHA-AMINOBUTYRIC ACIDA1C2U0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,C2J9J0.72
ABAALPHA-AMINOBUTYRIC ACIDC1CWB0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F1QOW0.72
ABAALPHA-AMINOBUTYRIC ACIDD1QNG0.72
ABAALPHA-AMINOBUTYRIC ACIDA9JDW0.72
ABAALPHA-AMINOBUTYRIC ACIDA1CYB0.72
ABAALPHA-AMINOBUTYRIC ACIDA1WZ50.72
ABAALPHA-AMINOBUTYRIC ACIDA3HVP0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6P0.72
ABAALPHA-AMINOBUTYRIC ACIDC1CYN0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B1MTR0.72
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H2RMC0.72
ABAALPHA-AMINOBUTYRIC ACIDA1BBO0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,D,E,F,H1M630.72
ABAALPHA-AMINOBUTYRIC ACIDE,F2ZOL0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B3BXR0.72
ABAALPHA-AMINOBUTYRIC ACIDC1CWM0.72
ABAALPHA-AMINOBUTYRIC ACIDA1CSA0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B1D4L0.72
ABAALPHA-AMINOBUTYRIC ACIDC1CWL0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B1Z1R0.72
ABAALPHA-AMINOBUTYRIC ACIDA,C,F,H2C5V0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F2ZSV0.72
ABAALPHA-AMINOBUTYRIC ACIDA,C,E,G,I,J,
K,L		2ZOK0.72
ABAALPHA-AMINOBUTYRIC ACIDB,D,F,H,J,L,
N,P,R,T		2RMB0.72
ABAALPHA-AMINOBUTYRIC ACIDA1MQZ0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
I,J,K,L,M,N		2ESL0.72
ABAALPHA-AMINOBUTYRIC ACIDC1CWH0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,C,D,E,F,
G,H		3BO70.72
ABAALPHA-AMINOBUTYRIC ACIDA,B1YLD0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCR0.72
ABAALPHA-AMINOBUTYRIC ACIDA,I2O400.72
ABAALPHA-AMINOBUTYRIC ACIDA,B1K090.72
ABAALPHA-AMINOBUTYRIC ACIDB1T1Q0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6K0.72
ABAALPHA-AMINOBUTYRIC ACIDA1MQY0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,I3DCK0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B1B6L0.72
ABAALPHA-AMINOBUTYRIC ACIDA2DDE0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1CPI0.72
ABAALPHA-AMINOBUTYRIC ACIDA,B,C1ZIJ0.72
ABAALPHA-AMINOBUTYRIC ACIDA1BAH0.72
ABAALPHA-AMINOBUTYRIC ACIDC,D1QNH0.72
ABAALPHA-AMINOBUTYRIC ACIDT,U,V2POY0.72
CAB4-CARBOXY-4-AMINOBUTANALA,B,M,N1FJM0.71
CAB4-CARBOXY-4-AMINOBUTANALC,I2IE30.71
CAB4-CARBOXY-4-AMINOBUTANALC,F,X,Y2NPP0.71
CAB4-CARBOXY-4-AMINOBUTANALA,B1DJO0.71
API2,6-DIAMINOPIMELIC ACIDA,B1E8C0.86
API2,6-DIAMINOPIMELIC ACIDA2DAP0.86
API2,6-DIAMINOPIMELIC ACIDE,S148L0.86
6CL6-CARBOXYLYSINEU2AIZ0.86
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C3HEZ0.72
BIL(3R,4S)-3-amino-4-methylhexanoic acidA,B,C,D3C3F0.72
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3HF00.72
BIL(3R,4S)-3-amino-4-methylhexanoic acidA3C3G0.72
26P2-AMINO-6-OXOPIMELIC ACIDA3TDT0.75
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B1D3V0.89
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2PLL0.89
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6K0.89
ABH2(S)-AMINO-6-BORONOHEXANOIC ACIDA,B3E6V0.89
6HN6-nitro-L-norleucineA,B3F800.79
AB52(S)-AMINO-6-BORONOHEXANOIC ACIDA,B2AEB0.87
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA,B,C3HEZ0.8
B3Q(3S)-3,6-diamino-6-oxohexanoic acidA3C3G0.8
B3L(3S)-3-amino-5-methylhexanoic acidA3C3H0.72
B3L(3S)-3-amino-5-methylhexanoic acidA3C3G0.72
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C,D3C3F0.72
B3L(3S)-3-amino-5-methylhexanoic acidA,B,C3HEZ0.72
B3L(3S)-3-amino-5-methylhexanoic acidA,B,D,E,F3FDM0.72
AA42-AMINO-5-HYDROXYPENTANOIC ACIDB1MIK0.73
AA42-AMINO-5-HYDROXYPENTANOIC ACIDE,I1QR30.73
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA3C3G0.76
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA2OXK0.76
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C,D3C3F0.76
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C3HEZ0.76
B3E(3S)-3-AMINOHEXANEDIOIC ACIDA,B,C2OXJ0.76
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5Z0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I5GDS0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2A2X0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FEQ0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,P2ANK0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,C,D3DPP0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1EB10.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1NZQ0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1HBT0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D6E0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B1B3H0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H2FES0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDC,D,E,G,H3DPQ0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1THS0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDI1QUR0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D3DPO0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDH,I4THN0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,D1D5M0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD,H1O0D0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1YWH0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDA1XRZ0.71
ALC2-AMINO-3-CYCLOHEXYL-PROPIONIC ACIDD1D5X0.71
CHGCYCLOHEXYL-GLYCINE2,3,48KME0.72
CHGCYCLOHEXYL-GLYCINEH,I4THN0.72
CHGCYCLOHEXYL-GLYCINEH,I,J7KME0.72
CHGCYCLOHEXYL-GLYCINEH,I5GDS0.72
AHP2-AMINO-HEPTANOIC ACIDD1J4X0.84
AC51-AMINOCYCLOPENTANECARBOXYLIC ACIDA,B1Y1M0.71
ALYN(6)-ACETYLLYSINEA,B2B4D0.74
ALYN(6)-ACETYLLYSINEA,B2OD90.74
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVR0.74
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVS0.74
ALYN(6)-ACETYLLYSINEA,B,C,P,Q2DVQ0.74
ALYN(6)-ACETYLLYSINEA,B,C,D2OT70.74
ALYN(6)-ACETYLLYSINEA,B2B5G0.74
ALYN(6)-ACETYLLYSINEA2GIV0.74
ALYN(6)-ACETYLLYSINEB2RNY0.74
ALYN(6)-ACETYLLYSINEA1JSP0.74
ALYN(6)-ACETYLLYSINEA,B,I,L2V5W0.74
ALYN(6)-ACETYLLYSINEA,D3D4B0.74
ALYN(6)-ACETYLLYSINEA,B,C,D2OQ60.74
ALYN(6)-ACETYLLYSINEA,B2R0Y0.74
ALYN(6)-ACETYLLYSINEA3CZ70.74
ALYN(6)-ACETYLLYSINEA1JM40.74
ALYN(6)-ACETYLLYSINEA,B2H4H0.74
ALYN(6)-ACETYLLYSINEA,B2J6V0.74
ALYN(6)-ACETYLLYSINEA,B2R100.74
ALYN(6)-ACETYLLYSINEA,B1YC50.74
ALYN(6)-ACETYLLYSINEA,B,C,D2OX00.74
ALYN(6)-ACETYLLYSINEA,B2H2G0.74
ALYN(6)-ACETYLLYSINEA,D2H4F0.74
ALYN(6)-ACETYLLYSINEA2OU20.74
ALYN(6)-ACETYLLYSINEA,B1S5P0.74
ALYN(6)-ACETYLLYSINEB2RNW0.74
ALYN(6)-ACETYLLYSINEA3D350.74
ALYN(6)-ACETYLLYSINEA,B2OD20.74
ALYN(6)-ACETYLLYSINEA2ZFN0.74
ALYN(6)-ACETYLLYSINEC,D2C1J0.74
ALYN(6)-ACETYLLYSINEA,B2QQG0.74
ALYN(6)-ACETYLLYSINEB2RNX0.74
ALYN(6)-ACETYLLYSINEA,B1MA30.74
ALYN(6)-ACETYLLYSINEA,B2H2H0.74
ALYN(6)-ACETYLLYSINEA2I2Z0.74
ALYN(6)-ACETYLLYSINEA,B2OD70.74
ALYN(6)-ACETYLLYSINEP1E6I0.74
ALYN(6)-ACETYLLYSINEA,B1SZC0.74
ALYN(6)-ACETYLLYSINEA,B,C,D,I,J,
K,L		3EWF0.74
ALYN(6)-ACETYLLYSINEA,B2H2D0.74
ALYN(6)-ACETYLLYSINEA,B1Q1A0.74
ALYN(6)-ACETYLLYSINEA,B1SZD0.74
ALYN(6)-ACETYLLYSINEQ,R2E3K0.74
ALYN(6)-ACETYLLYSINEA2OZU0.74
ALYN(6)-ACETYLLYSINEA,B2QQF0.74
ALYN(6)-ACETYLLYSINEA,B,C2R0V0.74
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA3C3G0.78
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C2OXJ0.78
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C,D3C3F0.78
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA,B,C3HEZ0.78
B3K(3S)-3,7-DIAMINOHEPTANOIC ACIDA2OXK0.78
ACA6-AMINOHEXANOIC ACIDA,B2JT90.82
ACA6-AMINOHEXANOIC ACIDA,B1CEA0.82
ACA6-AMINOHEXANOIC ACIDC1ILP0.82
ACA6-AMINOHEXANOIC ACIDA2PK40.82
ACA6-AMINOHEXANOIC ACID1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.82
ACA6-AMINOHEXANOIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z		1VQ60.82
ACA6-AMINOHEXANOIC ACID0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.82
ACA6-AMINOHEXANOIC ACIDA1PK20.82
ACA6-AMINOHEXANOIC ACIDA2ZM70.82
ACA6-AMINOHEXANOIC ACID0,1,2,3,6,9,
A,B,C,D,F,H,
J,K,L,M,N,O,
Q,R,S,T,U,Y,Z		3CMA0.82
ACA6-AMINOHEXANOIC ACIDC1ILQ0.82
ACA6-AMINOHEXANOIC ACIDA2ZM80.82
ACA6-AMINOHEXANOIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQK0.82
ACA6-AMINOHEXANOIC ACIDA2DCF0.82
ACA6-AMINOHEXANOIC ACIDA1HPK0.82
ACA6-AMINOHEXANOIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQ80.82
ACA6-AMINOHEXANOIC ACID0,1,2,3,6,9,
A,B,C,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		3CME0.82
ACA6-AMINOHEXANOIC ACIDA2ZM90.82
ACA6-AMINOHEXANOIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z		1VQN0.82
ACA6-AMINOHEXANOIC ACIDA2ZMA0.82
ACA6-AMINOHEXANOIC ACIDA3KIV0.82
ACA6-AMINOHEXANOIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z		1VQ90.82